3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile

C17H30N4 — CID 79627197

IUPAC3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H30N4/c1-2-8-19-17(14-18)7-3-4-16(13-17)21-11-9-20(10-12-21)15-5-6-15/h15-16,19H,2-13H2,1H3
InChIKeyORGSRQIRTDFZEB-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.97
Rot. Bonds5

About 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile

3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile (PubChem CID 79627197) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
PubChem CID79627197
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
SMILESCCCNC1(C#N)CCCC(N2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H30N4/c1-2-8-19-17(14-18)7-3-4-16(13-17)21-11-9-20(10-12-21)15-5-6-15/h15-16,19H,2-13H2,1H3
InChIKeyORGSRQIRTDFZEB-UHFFFAOYSA-N
XLogP1.97
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dimethylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625356
3-(3-methylpiperidin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79625038
1-(ethylamino)-3-(4-ethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79625108
3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639447
3-(4-butan-2-ylpiperazin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79627551
3-(4-tert-butylpiperidin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile
CID 79628775
3-(3,5-dimethylpyrazol-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile
CID 79626046
3-(4-ethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79626005
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 103537832
1-(ethylamino)-3-(1,4-oxazepan-4-yl)cyclohexane-1-carbonitrile
CID 79625064
1-(propylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
CID 64758428
[3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexyl]methanol
CID 79635833

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile (CID 79627197) is 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile is CCCNC1(C#N)CCCC(N2CCN(C3CC3)CC2)C1.
What is the InChIKey of 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
The InChIKey is ORGSRQIRTDFZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-2-8-19-17(14-18)7-3-4-16(13-17)21-11-9-20(10-12-21)15-5-6-15/h15-16,19H,2-13H2,1H3.
What are the key properties of 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile?
3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile has a molecular weight of 290.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylpiperazin-1-yl)-1-(propylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 79627197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).