1-piperidin-4-yl-1,4-diazepan-2-one

C10H19N3O — CID 89310976

IUPAC1-piperidin-4-yl-1,4-diazepan-2-one
SMILESO=C1CNCCCN1C1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10-8-12-4-1-7-13(10)9-2-5-11-6-3-9/h9,11-12H,1-8H2
InChIKeyAKVXAUKYFYGAQV-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds1

About 1-piperidin-4-yl-1,4-diazepan-2-one

1-piperidin-4-yl-1,4-diazepan-2-one (PubChem CID 89310976) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-piperidin-4-yl-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-piperidin-4-yl-1,4-diazepan-2-one
PubChem CID89310976
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-piperidin-4-yl-1,4-diazepan-2-one
SMILESO=C1CNCCCN1C1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10-8-12-4-1-7-13(10)9-2-5-11-6-3-9/h9,11-12H,1-8H2
InChIKeyAKVXAUKYFYGAQV-UHFFFAOYSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-4-yl-1,4-diazepan-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

Related Compounds

1-cyclohexylpiperazin-2-one;hydrate
CID 86812142
(8aS)-2,3,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-one
CID 18638938
1-(thiolan-2-yl)-1,4-diazepan-2-one
CID 115101837
1-(1-methylpiperidin-2-yl)-1,4-diazepan-2-one
CID 115101846
1-(azetidin-3-yl)piperazin-2-one
CID 163241212
4-cyclopentyl-1,4-diazocan-5-one
CID 117015321
1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
CID 67112219
1-[(1R,3S)-3-hydroxycyclohexyl]piperazin-2-one
CID 67085330
1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-one
CID 22980195
3-piperidin-4-yl-1,3-oxazinan-2-one
CID 22137522
1-pyrrolidin-3-ylpiperidin-2-one
CID 62329305
1-(2-methylcyclohexyl)piperazin-2-one
CID 64566824

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-1,4-diazepan-2-one?
The IUPAC name of 1-piperidin-4-yl-1,4-diazepan-2-one (CID 89310976) is 1-piperidin-4-yl-1,4-diazepan-2-one.
What is the SMILES notation for 1-piperidin-4-yl-1,4-diazepan-2-one?
The canonical SMILES for 1-piperidin-4-yl-1,4-diazepan-2-one is O=C1CNCCCN1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-1,4-diazepan-2-one?
The InChIKey is AKVXAUKYFYGAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c14-10-8-12-4-1-7-13(10)9-2-5-11-6-3-9/h9,11-12H,1-8H2.
What are the key properties of 1-piperidin-4-yl-1,4-diazepan-2-one?
1-piperidin-4-yl-1,4-diazepan-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-1,4-diazepan-2-one is sourced from PubChem (CID 89310976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).