4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile

C18H23N3O3S — CID 27329941

IUPAC4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)cc1
InChIInChI=1S/C18H23N3O3S/c19-14-16-5-7-17(8-6-16)25(23,24)21-11-9-20(10-12-21)18(22)13-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2
InChIKeyYMVPYDYKDKBVPR-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.97
Rot. Bonds4

About 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile

4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile (PubChem CID 27329941) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile
PubChem CID27329941
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)cc1
InChIInChI=1S/C18H23N3O3S/c19-14-16-5-7-17(8-6-16)25(23,24)21-11-9-20(10-12-21)18(22)13-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2
InChIKeyYMVPYDYKDKBVPR-UHFFFAOYSA-N
XLogP1.97
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propanoylpiperazin-1-yl)sulfonylbenzonitrile
CID 27329910
2-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]acetic acid
CID 78979719
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]propan-1-one
CID 55566908
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 55566906
4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 27329928
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
4-[4-(2-piperidin-4-ylacetyl)piperazin-1-yl]benzonitrile
CID 167961946
4-[4-[[(4S)-4-(2-morpholin-4-yl-2-oxoethyl)-2,5-dioxoimidazolidin-1-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 25442670
4-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethoxy]benzonitrile
CID 18120074
4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]benzonitrile
CID 57442407
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
4-[4-[2-(N-ethylanilino)acetyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55838179

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile (CID 27329941) is 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile is N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3CCCC3)CC2)cc1.
What is the InChIKey of 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile?
The InChIKey is YMVPYDYKDKBVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c19-14-16-5-7-17(8-6-16)25(23,24)21-11-9-20(10-12-21)18(22)13-15-3-1-2-4-15/h5-8,15H,1-4,9-13H2.
What are the key properties of 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile?
4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile has a molecular weight of 361.47 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopentylacetyl)piperazin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 27329941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).