2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

C18H33N3 — CID 79577326

IUPAC2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCN1CC(C)CC(C)C1
InChIInChI=1S/C18H33N3/c1-4-9-20-18(14-19)8-5-6-17(18)7-10-21-12-15(2)11-16(3)13-21/h15-17,20H,4-13H2,1-3H3
InChIKeyFHBSUNBWTZPMOP-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.42
Rot. Bonds6

About 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile

2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79577326) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79577326
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC1CCN1CC(C)CC(C)C1
InChIInChI=1S/C18H33N3/c1-4-9-20-18(14-19)8-5-6-17(18)7-10-21-12-15(2)11-16(3)13-21/h15-17,20H,4-13H2,1-3H3
InChIKeyFHBSUNBWTZPMOP-UHFFFAOYSA-N
XLogP3.42
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79564790
2-[2-(4-methylazepan-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79575959
1-(ethylamino)-2-[2-(3-methylpyrrolidin-1-yl)ethyl]cyclopentane-1-carbonitrile
CID 79564742
2-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79577480
1-(propylamino)-2-(2-propylsulfanylethyl)cyclopentane-1-carbonitrile
CID 79577245
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79573740
2-[2-(5-methylpyrazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79572695
2-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79572331
2-[2-(3-methylbutan-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile
CID 107755012
[2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(ethylamino)cyclopentyl]methanol
CID 79570944
1-(cyclopropylamino)-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]cyclopentane-1-carbonitrile
CID 104960206
2-(2-butan-2-yloxyethyl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79578001

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile (CID 79577326) is 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCCC1CCN1CC(C)CC(C)C1.
What is the InChIKey of 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is FHBSUNBWTZPMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-4-9-20-18(14-19)8-5-6-17(18)7-10-21-12-15(2)11-16(3)13-21/h15-17,20H,4-13H2,1-3H3.
What are the key properties of 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile?
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 291.48 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79577326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).