N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide

C18H27N3O3S — CID 119263645

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCN2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-14-8-9-15(20-18(22)16-7-3-4-10-19-16)13-17(14)25(23,24)21-11-5-2-6-12-21/h8-9,13,16,19H,2-7,10-12H2,1H3,(H,20,22)
InChIKeyKNXLUCPEFSZLBD-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.25
Rot. Bonds4

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide (PubChem CID 119263645) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide
PubChem CID119263645
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCCN2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-14-8-9-15(20-18(22)16-7-3-4-10-19-16)13-17(14)25(23,24)21-11-5-2-6-12-21/h8-9,13,16,19H,2-7,10-12H2,1H3,(H,20,22)
InChIKeyKNXLUCPEFSZLBD-UHFFFAOYSA-N
XLogP2.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]morpholine-3-carboxamide
CID 119675117
N-(3-chloro-4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119262099
1-methyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 50875261
N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 43233916
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264815
2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 98566354
(2R)-N-(3-hydroxy-4-methylphenyl)piperidine-2-carboxamide
CID 107701571
(3S)-1-cyclopentyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41079934
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119265955
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
tert-butyl 4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 29357036

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide (CID 119263645) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide is Cc1ccc(NC(=O)C2CCCCN2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide?
The InChIKey is KNXLUCPEFSZLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-8-9-15(20-18(22)16-7-3-4-10-19-16)13-17(14)25(23,24)21-11-5-2-6-12-21/h8-9,13,16,19H,2-7,10-12H2,1H3,(H,20,22).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 119263645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).