(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C17H26N2O4S — CID 6549496

IUPAC(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H26N2O4S/c1-4-13(2)18-17(20)14-6-5-11-19(12-14)24(21,22)16-9-7-15(23-3)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyNJEIEMHTJSHRKS-ZIAGYGMSSA-N
MW354.47 g/mol
LogP2.01
Rot. Bonds6

About (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 6549496) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID6549496
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C17H26N2O4S/c1-4-13(2)18-17(20)14-6-5-11-19(12-14)24(21,22)16-9-7-15(23-3)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)/t13-,14-/m1/s1
InChIKeyNJEIEMHTJSHRKS-ZIAGYGMSSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
N-heptan-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 46420149
1-(4-methoxyphenyl)sulfonyl-N-[(2S,3R)-3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]piperidine-3-carboxamide
CID 70680856
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 100658335
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 9302223
(3R)-1-ethylsulfonyl-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 125042732
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600
(3R)-1-(4-bromophenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100800595
(3R)-1-(4-bromophenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 41302198

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 6549496) is (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is CC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is NJEIEMHTJSHRKS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-13(2)18-17(20)14-6-5-11-19(12-14)24(21,22)16-9-7-15(23-3)8-10-16/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)/t13-,14-/m1/s1.
What are the key properties of (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 6549496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).