(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone

C26H34N2O4S — CID 126392266

IUPAC(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C26H34N2O4S/c1-20-10-11-24(32-2)25(17-20)33(30,31)28-14-6-9-23(19-28)26(29)27-15-12-22(13-16-27)18-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22-23H,6,9,12-16,18-19H2,1-2H3/t23-/m1/s1
InChIKeyBFYCCPPDYIRWNT-HSZRJFAPSA-N
MW470.64 g/mol
LogP3.89
Rot. Bonds6

About (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone (PubChem CID 126392266) has the molecular formula C26H34N2O4S and a molecular weight of 470.64 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
PubChem CID126392266
Molecular FormulaC26H34N2O4S
Molecular Weight470.64 g/mol
Exact Mass470.22
IUPAC Name(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C26H34N2O4S/c1-20-10-11-24(32-2)25(17-20)33(30,31)28-14-6-9-23(19-28)26(29)27-15-12-22(13-16-27)18-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22-23H,6,9,12-16,18-19H2,1-2H3/t23-/m1/s1
InChIKeyBFYCCPPDYIRWNT-HSZRJFAPSA-N
XLogP3.89
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzylpiperidin-1-yl)-[(3R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanone
CID 100780199
(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 41302820
[4-(4-fluorophenyl)piperazin-1-yl]-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 41339357
1-(2-methoxy-5-methylphenyl)sulfonyl-N-methyl-N-phenylpiperidine-3-carboxamide
CID 133159763
[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 6458860
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
(3S)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 126392756
(3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 126392758
(3R)-1-(2-methoxy-5-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 40647482
(3S)-N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 40975755
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 43589701
N-[(3,4-dimethoxyphenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872870

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone (CID 126392266) is (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone is COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is BFYCCPPDYIRWNT-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H34N2O4S/c1-20-10-11-24(32-2)25(17-20)33(30,31)28-14-6-9-23(19-28)26(29)27-15-12-22(13-16-27)18-21-7-4-3-5-8-21/h3-5,7-8,10-11,17,22-23H,6,9,12-16,18-19H2,1-2H3/t23-/m1/s1.
What are the key properties of (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 470.64 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 126392266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).