N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide

C15H22N2O5S — CID 51079432

IUPACN-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCOc1cccc(C(=O)N2CCCC(NS(C)(=O)=O)C2)c1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-8-4-7-12(14(13)22-2)15(18)17-9-5-6-11(10-17)16-23(3,19)20/h4,7-8,11,16H,5-6,9-10H2,1-3H3
InChIKeyPTIZCICCLQMEBF-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.86
Rot. Bonds5

About N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide

N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide (PubChem CID 51079432) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
PubChem CID51079432
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCOc1cccc(C(=O)N2CCCC(NS(C)(=O)=O)C2)c1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-8-4-7-12(14(13)22-2)15(18)17-9-5-6-11(10-17)16-23(3,19)20/h4,7-8,11,16H,5-6,9-10H2,1-3H3
InChIKeyPTIZCICCLQMEBF-UHFFFAOYSA-N
XLogP0.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079114
[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
[3-(bromomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 80661384
(2,3-dimethoxyphenyl)-[(3S)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]methanone
CID 124741062
1-(2,3-dimethoxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18124202
[3-(2-aminoethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 120727463
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299
(2,3-dimethoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926795
N-[[(3R)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821251
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
N-[1-(4-chloropyridine-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 81227485
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide (CID 51079432) is N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide is COc1cccc(C(=O)N2CCCC(NS(C)(=O)=O)C2)c1OC.
What is the InChIKey of N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is PTIZCICCLQMEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-13-8-4-7-12(14(13)22-2)15(18)17-9-5-6-11(10-17)16-23(3,19)20/h4,7-8,11,16H,5-6,9-10H2,1-3H3.
What are the key properties of N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide?
N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 51079432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).