ISDA: 7NGK

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: UAE

IUPAC Name: ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C(NC1CCCCC1)N1CCCCC1

InChI: InChI=1S/C12H22N2O/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h11H,1-10H2,(H,13,15)

InChI Key: FVBADNVFGOKMIY-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C13 H24 N2 O

Molecular weight: 224.342

Hydrogen Bond Acceptor: 1

Hydrogen Bond Donor: 1

Rotatable Bonds: 2

Heavy Atoms: 16

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C13H24N2O/c1-11-7-9-15(10-8-11)13(16)14-12-5-3-2-4-6-12/h11-12H,2-10H2,1H3,(H,14,16)
InChIKey	InChI	1.03	BOSHLBWKQSSSGD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1CCN(CC1)C(=O)NC2CCCCC2
SMILES	CACTVS	3.385	CC1CCN(CC1)C(=O)NC2CCCCC2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1CCN(CC1)C(=O)NC2CCCCC2
SMILES	OpenEye OEToolkits	2.0.7	CC1CCN(CC1)C(=O)NC2CCCCC2

Chemical Database Mapping