ISDA: 5QHO

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: GOY

IUPAC Name: di(piperidin-1-yl)methanone

Formal Charge: 0

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C(N1CCCCC1)N1CCCCC1

InChI: InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2

InChI Key: SNOJOKOVTYPHMC-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C11 H20 N2 O

Molecular weight: 196.289

Hydrogen Bond Acceptor: 1

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 14

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.6	di(piperidin-1-yl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C11H20N2O/c14-11(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H2
InChIKey	InChI	1.03	SNOJOKOVTYPHMC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O=C(N1CCCCC1)N2CCCCC2
SMILES	CACTVS	3.385	O=C(N1CCCCC1)N2CCCCC2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C1CCN(CC1)C(=O)N2CCCCC2
SMILES	OpenEye OEToolkits	2.0.6	C1CCN(CC1)C(=O)N2CCCCC2

Chemical Database Mapping