3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

C17H32N4 — CID 79639447

IUPAC3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N2CCN(C(C)CC)CC2)C1
InChIInChI=1S/C17H32N4/c1-4-8-19-17(14-18)7-6-16(13-17)21-11-9-20(10-12-21)15(3)5-2/h15-16,19H,4-13H2,1-3H3
InChIKeyJGVYSRHULGRBNR-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.22
Rot. Bonds6

About 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile

3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (PubChem CID 79639447) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
PubChem CID79639447
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
SMILESCCCNC1(C#N)CCC(N2CCN(C(C)CC)CC2)C1
InChIInChI=1S/C17H32N4/c1-4-8-19-17(14-18)7-6-16(13-17)21-11-9-20(10-12-21)15(3)5-2/h15-16,19H,4-13H2,1-3H3
InChIKeyJGVYSRHULGRBNR-UHFFFAOYSA-N
XLogP2.22
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-butan-2-ylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79627551
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79627197
[3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentyl]methanol
CID 79646989
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 103537832
3-(3-ethoxypiperidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639773
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79639574
3-butan-2-ylsulfanyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 79650293
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639960
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
3-(2-propan-2-ylimidazol-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79638589
3-(3,4-dimethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625356
3-[methyl(3-methylbutan-2-yl)amino]-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639252

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile (CID 79639447) is 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is CCCNC1(C#N)CCC(N2CCN(C(C)CC)CC2)C1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
The InChIKey is JGVYSRHULGRBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-4-8-19-17(14-18)7-6-16(13-17)21-11-9-20(10-12-21)15(3)5-2/h15-16,19H,4-13H2,1-3H3.
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile?
3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile has a molecular weight of 292.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).