1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

C19H27N3O4S — CID 43040978

IUPAC1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H27N3O4S/c1-27(25,26)22-13-9-15(10-14-22)18(23)20-17-8-4-3-7-16(17)19(24)21-11-5-2-6-12-21/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,23)
InChIKeyADWSJFLFPJHJJP-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.92
Rot. Bonds4

About 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide (PubChem CID 43040978) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
PubChem CID43040978
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H27N3O4S/c1-27(25,26)22-13-9-15(10-14-22)18(23)20-17-8-4-3-7-16(17)19(24)21-11-5-2-6-12-21/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,23)
InChIKeyADWSJFLFPJHJJP-UHFFFAOYSA-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

(3S)-1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 33170416
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
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-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4943642
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30875404
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
N-[2-(azepane-1-carbonyl)phenyl]-1-[(4-bromophenyl)methyl]piperidine-4-carboxamide
CID 38099889

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide (CID 43040978) is 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
The InChIKey is ADWSJFLFPJHJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-27(25,26)22-13-9-15(10-14-22)18(23)20-17-8-4-3-7-16(17)19(24)21-11-5-2-6-12-21/h3-4,7-8,15H,2,5-6,9-14H2,1H3,(H,20,23).
What are the key properties of 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-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 1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 43040978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).