1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile

C12H17N3O2 — CID 62046426

IUPAC1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCNC(=O)CC2)CCCC1
InChIInChI=1S/C12H17N3O2/c13-9-12(4-1-2-5-12)11(17)15-7-3-10(16)14-6-8-15/h1-8H2,(H,14,16)
InChIKeyPPHOPWIKSNXZSD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.42
Rot. Bonds1

About 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile

1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 62046426) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile
PubChem CID62046426
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCNC(=O)CC2)CCCC1
InChIInChI=1S/C12H17N3O2/c13-9-12(4-1-2-5-12)11(17)15-7-3-10(16)14-6-8-15/h1-8H2,(H,14,16)
InChIKeyPPHOPWIKSNXZSD-UHFFFAOYSA-N
XLogP0.42
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile 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-(1-aminocyclohexanecarbonyl)-1,4-diazepan-5-one
CID 63003205
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(2-methylpiperidine-2-carbonyl)-1,4-diazepan-5-one
CID 104596776
1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686775
1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131683867
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-[1-(cyclopropylmethyl)-5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carbonyl]cyclopentane-1-carbonitrile
CID 131689940
1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 95590992
1-[1-(4-fluorophenyl)cyclohexanecarbonyl]-1,4-diazepan-5-one
CID 56821181
1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]-1,4-diazepan-5-one
CID 55227834
1-[2-oxo-2-(5-oxo-1,4-diazepan-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 55135653
1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 71683394

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile (CID 62046426) is 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCNC(=O)CC2)CCCC1.
What is the InChIKey of 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is PPHOPWIKSNXZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-9-12(4-1-2-5-12)11(17)15-7-3-10(16)14-6-8-15/h1-8H2,(H,14,16).
What are the key properties of 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile?
1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile has a molecular weight of 235.29 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62046426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).