1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one

C12H21N3O — CID 79504364

IUPAC1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one
SMILESCN1CC(NC2=NCCCCC2)CCC1=O
InChIInChI=1S/C12H21N3O/c1-15-9-10(6-7-12(15)16)14-11-5-3-2-4-8-13-11/h10H,2-9H2,1H3,(H,13,14)
InChIKeySADCOXHMCKFSSI-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.17
Rot. Bonds1

About 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one

1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one (PubChem CID 79504364) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one
PubChem CID79504364
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one
SMILESCN1CC(NC2=NCCCCC2)CCC1=O
InChIInChI=1S/C12H21N3O/c1-15-9-10(6-7-12(15)16)14-11-5-3-2-4-8-13-11/h10H,2-9H2,1H3,(H,13,14)
InChIKeySADCOXHMCKFSSI-UHFFFAOYSA-N
XLogP1.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one (CID 79504364) is 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one is CN1CC(NC2=NCCCCC2)CCC1=O.
What is the InChIKey of 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one?
The InChIKey is SADCOXHMCKFSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-9-10(6-7-12(15)16)14-11-5-3-2-4-8-13-11/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one?
1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)piperidin-2-one is sourced from PubChem (CID 79504364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).