(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

C17H23N3O4S — CID 33173212

IUPAC(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)C1
InChIInChI=1S/C17H23N3O4S/c1-25(23,24)19-9-3-5-13(12-19)17(22)18-14-6-2-7-15(11-14)20-10-4-8-16(20)21/h2,6-7,11,13H,3-5,8-10,12H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyYKZKKPDQZNZHOS-CYBMUJFWSA-N
MW365.46 g/mol
LogP1.42
Rot. Bonds4

About (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide

(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 33173212) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID33173212
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)C1
InChIInChI=1S/C17H23N3O4S/c1-25(23,24)19-9-3-5-13(12-19)17(22)18-14-6-2-7-15(11-14)20-10-4-8-16(20)21/h2,6-7,11,13H,3-5,8-10,12H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyYKZKKPDQZNZHOS-CYBMUJFWSA-N
XLogP1.42
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 38802258
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258371
(3R)-1-N,1-N-diethyl-3-N-[3-(2-oxopiperidin-1-yl)phenyl]piperidine-1,3-dicarboxamide
CID 51956267
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
(3S)-1-ethylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 95196197
(3R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41024996
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
1-cyclopentyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71912128

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide (CID 33173212) is (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)C1.
What is the InChIKey of (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is YKZKKPDQZNZHOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-25(23,24)19-9-3-5-13(12-19)17(22)18-14-6-2-7-15(11-14)20-10-4-8-16(20)21/h2,6-7,11,13H,3-5,8-10,12H2,1H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide?
(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 33173212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).