N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide

C14H23N3O — CID 114428968

IUPACN-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC2CCCC2C#N)C1
InChIInChI=1S/C14H23N3O/c1-2-10-6-7-16-13(8-10)14(18)17-12-5-3-4-11(12)9-15/h10-13,16H,2-8H2,1H3,(H,17,18)
InChIKeyJAQAYHCHUPZBKT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.57
Rot. Bonds3

About N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide

N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide (PubChem CID 114428968) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide
PubChem CID114428968
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NC2CCCC2C#N)C1
InChIInChI=1S/C14H23N3O/c1-2-10-6-7-16-13(8-10)14(18)17-12-5-3-4-11(12)9-15/h10-13,16H,2-8H2,1H3,(H,17,18)
InChIKeyJAQAYHCHUPZBKT-UHFFFAOYSA-N
XLogP1.57
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylcyclohexyl)-4-ethylpiperidine-2-carboxamide
CID 114429133
4-ethyl-N-(3-hydroxy-2,2-dimethylcyclobutyl)piperidine-2-carboxamide
CID 114629713
N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 97121023
[(1R,2R)-2-cyanocyclohexyl]carbamic acid
CID 89240043
N-(cyclohexylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428046
4-ethyl-N-(oxolan-3-yl)piperidine-2-carboxamide
CID 114429328
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
4-ethyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-2-carboxamide
CID 114428205
N-(2-ethylcyclohexyl)-4-methylpiperidine-2-carboxamide
CID 114423051
N-(2-cyanocyclopentyl)cyclooctanecarboxamide
CID 65018663
N-(2-cyanocyclopentyl)-4-methylcyclohexane-1-carboxamide
CID 79601921
4-ethyl-N-[2-(ethylamino)-2-oxoethyl]piperidine-2-carboxamide
CID 114428095

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide?
The IUPAC name of N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide (CID 114428968) is N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide is CCC1CCNC(C(=O)NC2CCCC2C#N)C1.
What is the InChIKey of N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide?
The InChIKey is JAQAYHCHUPZBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-10-6-7-16-13(8-10)14(18)17-12-5-3-4-11(12)9-15/h10-13,16H,2-8H2,1H3,(H,17,18).
What are the key properties of N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide?
N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-4-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 114428968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).