3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

C21H32N2O3S — CID 108569551

IUPAC3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H32N2O3S/c1-2-18-8-11-20(12-9-18)27(25,26)23-16-14-22(15-17-23)21(24)13-10-19-6-4-3-5-7-19/h8-9,11-12,19H,2-7,10,13-17H2,1H3
InChIKeyCZHDACRZVTXMHU-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.44
Rot. Bonds6

About 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one

3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one (PubChem CID 108569551) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
PubChem CID108569551
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
SMILESCCc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H32N2O3S/c1-2-18-8-11-20(12-9-18)27(25,26)23-16-14-22(15-17-23)21(24)13-10-19-6-4-3-5-7-19/h8-9,11-12,19H,2-7,10,13-17H2,1H3
InChIKeyCZHDACRZVTXMHU-UHFFFAOYSA-N
XLogP3.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]propan-1-one
CID 9496635
3-(diethylamino)-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110422421
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 55566906
3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]propan-1-one
CID 55566908
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-2-methoxyethanone
CID 108569952
1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 55987188
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422712
4-(3-cyclohexylpropanoyl)piperazine-1-sulfonamide
CID 61067621
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-1-one
CID 108569435
3-cyclopentyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 7979894
3-cyclohexyl-1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108533931
3-amino-1-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269998

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one (CID 108569551) is 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one is CCc1ccc(S(=O)(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1.
What is the InChIKey of 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
The InChIKey is CZHDACRZVTXMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-2-18-8-11-20(12-9-18)27(25,26)23-16-14-22(15-17-23)21(24)13-10-19-6-4-3-5-7-19/h8-9,11-12,19H,2-7,10,13-17H2,1H3.
What are the key properties of 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one has a molecular weight of 392.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]propan-1-one is sourced from PubChem (CID 108569551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).