1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

C18H27N3O3S — CID 50875261

IUPAC1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H27N3O3S/c1-14-5-6-16(19-18(22)15-7-11-20(2)12-8-15)13-17(14)25(23,24)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,22)
InChIKeyIEKUOQWQKAUKDN-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.06
Rot. Bonds4

About 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 50875261) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID50875261
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C18H27N3O3S/c1-14-5-6-16(19-18(22)15-7-11-20(2)12-8-15)13-17(14)25(23,24)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,22)
InChIKeyIEKUOQWQKAUKDN-UHFFFAOYSA-N
XLogP2.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 29357036
(3S)-1-(benzenesulfonyl)-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]piperidine-3-carboxamide
CID 100662005
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide
CID 119263645
(3S)-1-cyclopentyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41079934
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 46697284
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 56921230
N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(4-methyl-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 39764000

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide (CID 50875261) is 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C)CC2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is IEKUOQWQKAUKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-5-6-16(19-18(22)15-7-11-20(2)12-8-15)13-17(14)25(23,24)21-9-3-4-10-21/h5-6,13,15H,3-4,7-12H2,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide?
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 50875261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).