(3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide

C18H21N3O4S — CID 51942549

IUPAC(3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2Oc2ccccc2)C1
InChIInChI=1S/C18H21N3O4S/c1-26(23,24)21-12-6-7-14(13-21)17(22)20-16-10-5-11-19-18(16)25-15-8-3-2-4-9-15/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyOZGXOJGGCUOJGY-AWEZNQCLSA-N
MW375.45 g/mol
LogP2.48
Rot. Bonds5

About (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide

(3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 51942549) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide
PubChem CID51942549
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name(3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2Oc2ccccc2)C1
InChIInChI=1S/C18H21N3O4S/c1-26(23,24)21-12-6-7-14(13-21)17(22)20-16-10-5-11-19-18(16)25-15-8-3-2-4-9-15/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,20,22)/t14-/m0/s1
InChIKeyOZGXOJGGCUOJGY-AWEZNQCLSA-N
XLogP2.48
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55678773
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891
N-(5-bromoquinolin-8-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 17023445
(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide
CID 41025456
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
(3S)-1-methylsulfonyl-N-[(2S)-1-phenoxypropan-2-yl]piperidine-3-carboxamide
CID 94625034
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132657722
(3S)-1-methylsulfonyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 124505189
N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55766233
1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide (CID 51942549) is (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccnc2Oc2ccccc2)C1.
What is the InChIKey of (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is OZGXOJGGCUOJGY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-26(23,24)21-12-6-7-14(13-21)17(22)20-16-10-5-11-19-18(16)25-15-8-3-2-4-9-15/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,20,22)/t14-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide?
(3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 51942549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).