[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone

C24H29ClN2O3S — CID 134016677

IUPAC[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1)N1CCCCC1
InChIInChI=1S/C24H29ClN2O3S/c25-22-10-9-21(24(28)26-13-5-2-6-14-26)18-23(22)31(29,30)27-15-11-20(12-16-27)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20H,2,5-6,11-17H2
InChIKeyKZLVJYVCOLYTCV-UHFFFAOYSA-N
MW461.03 g/mol
LogP4.61
Rot. Bonds5

About [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone

[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone (PubChem CID 134016677) has the molecular formula C24H29ClN2O3S and a molecular weight of 461.03 g/mol. Its IUPAC name is [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone
PubChem CID134016677
Molecular FormulaC24H29ClN2O3S
Molecular Weight461.03 g/mol
Exact Mass460.16
IUPAC Name[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1)N1CCCCC1
InChIInChI=1S/C24H29ClN2O3S/c25-22-10-9-21(24(28)26-13-5-2-6-14-26)18-23(22)31(29,30)27-15-11-20(12-16-27)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20H,2,5-6,11-17H2
InChIKeyKZLVJYVCOLYTCV-UHFFFAOYSA-N
XLogP4.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.03
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-benzylpiperidine-1-carbonyl)-2-chloro-N-methylbenzenesulfonamide
CID 9414275
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
3-(4-benzylpiperidin-1-yl)sulfonyl-N-[(1R)-1-(3-bromo-5-chlorophenyl)-2-hydroxyethyl]-4-chlorobenzamide
CID 166348509
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2479205
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877544
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 16644067
ethyl (3S)-1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate
CID 42524067
azepan-1-yl-[2-(4-benzylpiperidin-1-yl)pyrimidin-5-yl]methanone
CID 109264112
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[5-(4-benzylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226329

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone (CID 134016677) is [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone is O=C(c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1)N1CCCCC1.
What is the InChIKey of [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone?
The InChIKey is KZLVJYVCOLYTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3S/c25-22-10-9-21(24(28)26-13-5-2-6-14-26)18-23(22)31(29,30)27-15-11-20(12-16-27)17-19-7-3-1-4-8-19/h1,3-4,7-10,18,20H,2,5-6,11-17H2.
What are the key properties of [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone?
[3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone has a molecular weight of 461.03 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzylpiperidin-1-yl)sulfonyl-4-chlorophenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134016677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).