(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide

C19H27N3O4S — CID 33170416

IUPAC(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C19H27N3O4S/c1-27(25,26)22-13-7-8-15(14-22)18(23)20-17-10-4-3-9-16(17)19(24)21-11-5-2-6-12-21/h3-4,9-10,15H,2,5-8,11-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyMGQZQAZYRKXLFM-HNNXBMFYSA-N
MW393.51 g/mol
LogP1.92
Rot. Bonds4

About (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide

(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide (PubChem CID 33170416) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
PubChem CID33170416
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1
InChIInChI=1S/C19H27N3O4S/c1-27(25,26)22-13-7-8-15(14-22)18(23)20-17-10-4-3-9-16(17)19(24)21-11-5-2-6-12-21/h3-4,9-10,15H,2,5-8,11-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyMGQZQAZYRKXLFM-HNNXBMFYSA-N
XLogP1.92
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 100674955
N-[2-(hydroxymethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 61497891
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132657722
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327
N-[2-(azepane-1-carbonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648831
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
(3R)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491922
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 93491921

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide (CID 33170416) is (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide is CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)N2CCCCC2)C1.
What is the InChIKey of (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide?
The InChIKey is MGQZQAZYRKXLFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-27(25,26)22-13-7-8-15(14-22)18(23)20-17-10-4-3-9-16(17)19(24)21-11-5-2-6-12-21/h3-4,9-10,15H,2,5-8,11-14H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide?
(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 33170416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).