3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

C20H30N2O3S — CID 7979894

IUPAC3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1
InChIInChI=1S/C20H30N2O3S/c1-16-7-8-17(2)19(15-16)26(24,25)22-13-11-21(12-14-22)20(23)10-9-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3
InChIKeyCXBRXMVFXZCPBJ-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.11
Rot. Bonds5

About 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 7979894) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID7979894
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1
InChIInChI=1S/C20H30N2O3S/c1-16-7-8-17(2)19(15-16)26(24,25)22-13-11-21(12-14-22)20(23)10-9-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3
InChIKeyCXBRXMVFXZCPBJ-UHFFFAOYSA-N
XLogP3.11
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentane-1,4-dione
CID 9496224
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
[2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] cyclopentanecarboxylate
CID 9202129
1-(3,4-dimethylphenyl)-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione
CID 27514748
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[(3S)-1,1-dioxothiolan-3-yl]ethanone
CID 9372548
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 51887332
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(oxan-3-yl)-4-oxobutanamide
CID 56559474
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 11920150
N-[3-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide
CID 24634807
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenoxy)butan-1-one
CID 18280286
3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 108569551

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 7979894) is 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1.
What is the InChIKey of 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is CXBRXMVFXZCPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-16-7-8-17(2)19(15-16)26(24,25)22-13-11-21(12-14-22)20(23)10-9-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3.
What are the key properties of 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 378.54 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 7979894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).