1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile

C12H18N2O — CID 51073773

IUPAC1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C12H18N2O/c13-10-12(6-2-3-7-12)11(15)14-8-4-1-5-9-14/h1-9H2
InChIKeyDTSTVYPHSCAYKK-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.08
Rot. Bonds1

About 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile

1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile (PubChem CID 51073773) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
PubChem CID51073773
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCCC2)CCCC1
InChIInChI=1S/C12H18N2O/c13-10-12(6-2-3-7-12)11(15)14-8-4-1-5-9-14/h1-9H2
InChIKeyDTSTVYPHSCAYKK-UHFFFAOYSA-N
XLogP2.08
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-(thiomorpholine-4-carbonyl)cyclobutane-1-carbonitrile
CID 71683394
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 106669285
methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
CID 60718203
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cycloheptane-1-carbonitrile
CID 115559859
1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 95607164
1-(3,3-difluoropiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 116991513
1-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)cyclohexane-1-carbonitrile
CID 63153826
1-(2,2-dimethylmorpholine-4-carbonyl)cyclohexane-1-carbonitrile
CID 61461376
1-(5-oxo-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile
CID 62046426
1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 112686446

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile (CID 51073773) is 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCCCC2)CCCC1.
What is the InChIKey of 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile?
The InChIKey is DTSTVYPHSCAYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-10-12(6-2-3-7-12)11(15)14-8-4-1-5-9-14/h1-9H2.
What are the key properties of 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile?
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile has a molecular weight of 206.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 51073773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).