N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide

C20H24N2O3S — CID 118768764

IUPACN-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(-c2cccc(C(=O)N3CCC(NS(C)(=O)=O)CC3)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-6-8-16(9-7-15)17-4-3-5-18(14-17)20(23)22-12-10-19(11-13-22)21-26(2,24)25/h3-9,14,19,21H,10-13H2,1-2H3
InChIKeyCIPOSNHJKFTNKS-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.82
Rot. Bonds4

About N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide

N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 118768764) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
PubChem CID118768764
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccc(-c2cccc(C(=O)N3CCC(NS(C)(=O)=O)CC3)c2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15-6-8-16(9-7-15)17-4-3-5-18(14-17)20(23)22-12-10-19(11-13-22)21-26(2,24)25/h3-9,14,19,21H,10-13H2,1-2H3
InChIKeyCIPOSNHJKFTNKS-UHFFFAOYSA-N
XLogP2.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[6-(4-hydroxyphenyl)naphthalene-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 172672030
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
N-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 63212360
N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118767374
2,4-dimethyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566045
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108567177
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]methanesulfonamide
CID 108564444
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72890935
N-[1-(2-bromo-3-methylbenzoyl)piperidin-4-yl]methanesulfonamide
CID 103853007
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
3,4-dimethyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563684
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide (CID 118768764) is N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide is Cc1ccc(-c2cccc(C(=O)N3CCC(NS(C)(=O)=O)CC3)c2)cc1.
What is the InChIKey of N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is CIPOSNHJKFTNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-6-8-16(9-7-15)17-4-3-5-18(14-17)20(23)22-12-10-19(11-13-22)21-26(2,24)25/h3-9,14,19,21H,10-13H2,1-2H3.
What are the key properties of N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-methylphenyl)benzoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 118768764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).