2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

C16H29N3 — CID 79566331

IUPAC2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCC1CCCN(CCC2CCCC2(C#N)NC)C1
InChIInChI=1S/C16H29N3/c1-3-14-6-5-10-19(12-14)11-8-15-7-4-9-16(15,13-17)18-2/h14-15,18H,3-12H2,1-2H3
InChIKeyKVGAIRHFAANCSH-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.78
Rot. Bonds5

About 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile

2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (PubChem CID 79566331) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
PubChem CID79566331
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
SMILESCCC1CCCN(CCC2CCCC2(C#N)NC)C1
InChIInChI=1S/C16H29N3/c1-3-14-6-5-10-19(12-14)11-8-15-7-4-9-16(15,13-17)18-2/h14-15,18H,3-12H2,1-2H3
InChIKeyKVGAIRHFAANCSH-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572991
1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742
2-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79575948
1-(methylamino)-2-[2-(2,2,6-trimethylmorpholin-4-yl)ethyl]cyclopentane-1-carbonitrile
CID 79572397
2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79575959
2-[2-(cyclopentylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79576565
2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-[2-(cyclohexylmethoxy)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578007
2-[2-(4-ethylazepan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79573690
2-[2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79572116
1-(cyclopropylamino)-2-[2-(2-ethylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79570317
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577326

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile (CID 79566331) is 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is CCC1CCCN(CCC2CCCC2(C#N)NC)C1.
What is the InChIKey of 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
The InChIKey is KVGAIRHFAANCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-14-6-5-10-19(12-14)11-8-15-7-4-9-16(15,13-17)18-2/h14-15,18H,3-12H2,1-2H3.
What are the key properties of 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile?
2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile has a molecular weight of 263.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79566331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).