(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

C21H26N2O3S — CID 92642299

IUPAC(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-17-7-5-10-19(13-17)14-22-21(24)20-11-6-12-23(15-20)27(25,26)16-18-8-3-2-4-9-18/h2-5,7-10,13,20H,6,11-12,14-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyUTURWVBKNYOFLK-HXUWFJFHSA-N
MW386.52 g/mol
LogP2.85
Rot. Bonds6

About (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92642299) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92642299
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-17-7-5-10-19(13-17)14-22-21(24)20-11-6-12-23(15-20)27(25,26)16-18-8-3-2-4-9-18/h2-5,7-10,13,20H,6,11-12,14-16H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyUTURWVBKNYOFLK-HXUWFJFHSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47001087
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642351
(3R)-N-[(3-methylphenyl)methyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94016222
(3R)-1-benzylsulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 1445009
N-[(3-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 20887286
1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133254889
(3S)-1-benzylsulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1444999
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
1-(2,5-dichlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133159708
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
1-benzylsulfonyl-N-[2-(ethylamino)ethyl]piperidine-3-carboxamide
CID 119506455
N-benzyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 4215035

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide (CID 92642299) is (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)c1.
What is the InChIKey of (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UTURWVBKNYOFLK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-7-5-10-19(13-17)14-22-21(24)20-11-6-12-23(15-20)27(25,26)16-18-8-3-2-4-9-18/h2-5,7-10,13,20H,6,11-12,14-16H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzylsulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92642299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).