(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

C24H25N3O3S — CID 53245887

IUPAC(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C24H25N3O3S/c28-24(26-16-19-8-3-1-4-9-19)21-13-14-23(20-10-5-2-6-11-20)27(18-21)31(29,30)22-12-7-15-25-17-22/h1-12,15,17,21,23H,13-14,16,18H2,(H,26,28)/t21-,23-/m1/s1
InChIKeyXOEFNCLYVXCIIA-FYYLOGMGSA-N
MW435.55 g/mol
LogP3.54
Rot. Bonds6

About (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide

(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (PubChem CID 53245887) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
PubChem CID53245887
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(S(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C24H25N3O3S/c28-24(26-16-19-8-3-1-4-9-19)21-13-14-23(20-10-5-2-6-11-20)27(18-21)31(29,30)22-12-7-15-25-17-22/h1-12,15,17,21,23H,13-14,16,18H2,(H,26,28)/t21-,23-/m1/s1
InChIKeyXOEFNCLYVXCIIA-FYYLOGMGSA-N
XLogP3.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 67246912
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
tert-butyl N-[4-[[[(3R,6R)-1-(benzenesulfonyl)-6-phenylpiperidine-3-carbonyl]amino]methyl]phenyl]carbamate
CID 53246721
1,4-bis(benzenesulfonyl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 2864325
4-(benzenesulfonamidomethyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 3444702
N-[(4-fluorophenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3242560
N-[(4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide
CID 3244935
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
CID 122083302
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46476011
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide (CID 53245887) is (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is O=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)N(S(=O)(=O)c2cccnc2)C1.
What is the InChIKey of (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is XOEFNCLYVXCIIA-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-24(26-16-19-8-3-1-4-9-19)21-13-14-23(20-10-5-2-6-11-20)27(18-21)31(29,30)22-12-7-15-25-17-22/h1-12,15,17,21,23H,13-14,16,18H2,(H,26,28)/t21-,23-/m1/s1.
What are the key properties of (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide?
(3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-N-benzyl-6-phenyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 53245887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).