1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide

C17H21N3O3S — CID 110726347

IUPAC1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C17H21N3O3S/c1-24(22,23)20-12-8-14(9-13-20)17(21)18-15-4-6-16(7-5-15)19-10-2-3-11-19/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,18,21)
InChIKeyJYIPYNRZCNHGBJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.09
Rot. Bonds4

About 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide

1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 110726347) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID110726347
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C17H21N3O3S/c1-24(22,23)20-12-8-14(9-13-20)17(21)18-15-4-6-16(7-5-15)19-10-2-3-11-19/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,18,21)
InChIKeyJYIPYNRZCNHGBJ-UHFFFAOYSA-N
XLogP2.09
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603455
N-(3-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17453629
1-methylsulfonyl-N-pyrazolo[1,5-a]pyridin-5-ylpiperidine-4-carboxamide
CID 91629374
N-[4-(5-carbamoyltetrazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 71792214
1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
N-[4-(1H-imidazol-2-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 110726535
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(1H-indol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110730828
N-(1-methyl-2,3-dihydroindol-5-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729349
butyl 4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate
CID 45372259

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide (CID 110726347) is 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is JYIPYNRZCNHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-24(22,23)20-12-8-14(9-13-20)17(21)18-15-4-6-16(7-5-15)19-10-2-3-11-19/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,18,21).
What are the key properties of 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide?
1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(4-pyrrol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 110726347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).