1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile

C16H28N4 — CID 79639574

IUPAC1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
SMILESCC(C)N1CCN(C2CCC(C#N)(NC3CC3)C2)CC1
InChIInChI=1S/C16H28N4/c1-13(2)19-7-9-20(10-8-19)15-5-6-16(11-15,12-17)18-14-3-4-14/h13-15,18H,3-11H2,1-2H3
InChIKeyYSTSCLHTFWEVED-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.58
Rot. Bonds4

About 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile

1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile (PubChem CID 79639574) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
PubChem CID79639574
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile
SMILESCC(C)N1CCN(C2CCC(C#N)(NC3CC3)C2)CC1
InChIInChI=1S/C16H28N4/c1-13(2)19-7-9-20(10-8-19)15-5-6-16(11-15,12-17)18-14-3-4-14/h13-15,18H,3-11H2,1-2H3
InChIKeyYSTSCLHTFWEVED-UHFFFAOYSA-N
XLogP1.58
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79626679
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carbonitrile
CID 79639135
1-(cyclopropylamino)-3-(3,4-dimethylpiperazin-1-yl)cyclopentane-1-carbonitrile
CID 79638318
1-(cyclopropylamino)-3-(3,4-dimethoxypyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 103537863
1-(cyclopropylamino)-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclopentane-1-carbonitrile
CID 104960154
3-(4-butan-2-ylpiperazin-1-yl)-1-(propylamino)cyclopentane-1-carbonitrile
CID 79639447
1-(cyclopropylamino)-3-(4,4-dimethylazepan-1-yl)cyclohexane-1-carbonitrile
CID 79628418
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
1-[(1-propan-2-ylpyrrolidin-3-yl)amino]cyclopropane-1-carbonitrile
CID 167501163
1-(cyclopropylamino)-3-(3,3,4-trimethylpiperazin-1-yl)cyclohexane-1-carbonitrile
CID 79627045
1-(cyclopropylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentane-1-carbonitrile
CID 79639239
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 79625967

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile (CID 79639574) is 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile is CC(C)N1CCN(C2CCC(C#N)(NC3CC3)C2)CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is YSTSCLHTFWEVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13(2)19-7-9-20(10-8-19)15-5-6-16(11-15,12-17)18-14-3-4-14/h13-15,18H,3-11H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile?
1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 276.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(4-propan-2-ylpiperazin-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79639574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).