1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile

C16H23N3O2 — CID 131683867

IUPAC1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC3(CCC(=O)N3)CC2)CCCC1
InChIInChI=1S/C16H23N3O2/c17-12-15(5-1-2-6-15)14(21)19-10-3-7-16(9-11-19)8-4-13(20)18-16/h1-11H2,(H,18,20)
InChIKeyKJAGOYMWOTVUJV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.73
Rot. Bonds1

About 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile

1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 131683867) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
PubChem CID131683867
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC3(CCC(=O)N3)CC2)CCCC1
InChIInChI=1S/C16H23N3O2/c17-12-15(5-1-2-6-15)14(21)19-10-3-7-16(9-11-19)8-4-13(20)18-16/h1-11H2,(H,18,20)
InChIKeyKJAGOYMWOTVUJV-UHFFFAOYSA-N
XLogP1.73
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile
CID 62046426
1-(3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686775
(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484681
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645770
(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484678
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 97450527
1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 71683394
1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 95590992
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 116991513
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 51246196

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile (CID 131683867) is 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCCC3(CCC(=O)N3)CC2)CCCC1.
What is the InChIKey of 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is KJAGOYMWOTVUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c17-12-15(5-1-2-6-15)14(21)19-10-3-7-16(9-11-19)8-4-13(20)18-16/h1-11H2,(H,18,20).
What are the key properties of 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile?
1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 131683867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).