1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide

C22H26N2O3S — CID 46438624

IUPAC1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H26N2O3S/c25-22(24(20-13-14-20)16-18-8-3-1-4-9-18)19-10-7-15-23(17-19)28(26,27)21-11-5-2-6-12-21/h1-6,8-9,11-12,19-20H,7,10,13-17H2
InChIKeyZXDSALACXDSKLV-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.28
Rot. Bonds6

About 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide

1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 46438624) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
PubChem CID46438624
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H26N2O3S/c25-22(24(20-13-14-20)16-18-8-3-1-4-9-18)19-10-7-15-23(17-19)28(26,27)21-11-5-2-6-12-21/h1-6,8-9,11-12,19-20H,7,10,13-17H2
InChIKeyZXDSALACXDSKLV-UHFFFAOYSA-N
XLogP3.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-cyclopropyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 126804241
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954
1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
N-benzyl-N-cyclopropyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 46420855
(3S)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737581
(3R)-N-benzyl-N-ethyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 71737579
(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 71710466
(3R)-1-(benzenesulfonyl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 93476471
1-(benzenesulfonyl)-N-benzyl-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16862602

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide (CID 46438624) is 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide is O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is ZXDSALACXDSKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c25-22(24(20-13-14-20)16-18-8-3-1-4-9-18)19-10-7-15-23(17-19)28(26,27)21-11-5-2-6-12-21/h1-6,8-9,11-12,19-20H,7,10,13-17H2.
What are the key properties of 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide?
1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 46438624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).