2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile

C19H25N3O3S — CID 9207603

IUPAC2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C19H25N3O3S/c20-15-17-7-3-4-8-18(17)26(24,25)22-13-11-21(12-14-22)19(23)10-9-16-5-1-2-6-16/h3-4,7-8,16H,1-2,5-6,9-14H2
InChIKeyHYLJCEHAZYIQIZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.36
Rot. Bonds5

About 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile

2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile (PubChem CID 9207603) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile
PubChem CID9207603
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C19H25N3O3S/c20-15-17-7-3-4-8-18(17)26(24,25)22-13-11-21(12-14-22)19(23)10-9-16-5-1-2-6-16/h3-4,7-8,16H,1-2,5-6,9-14H2
InChIKeyHYLJCEHAZYIQIZ-UHFFFAOYSA-N
XLogP2.36
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile (CID 9207603) is 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile is N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile?
The InChIKey is HYLJCEHAZYIQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c20-15-17-7-3-4-8-18(17)26(24,25)22-13-11-21(12-14-22)19(23)10-9-16-5-1-2-6-16/h3-4,7-8,16H,1-2,5-6,9-14H2.
What are the key properties of 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile?
2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile has a molecular weight of 375.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 9207603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).