N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide

C15H22N2O5S — CID 51079114

IUPACN-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC(NS(C)(=O)=O)C2)c(OC)c1
InChIInChI=1S/C15H22N2O5S/c1-21-12-6-7-13(14(9-12)22-2)15(18)17-8-4-5-11(10-17)16-23(3,19)20/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyMTVTZGRPDXGMOE-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.86
Rot. Bonds5

About N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide

N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide (PubChem CID 51079114) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
PubChem CID51079114
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
SMILESCOc1ccc(C(=O)N2CCCC(NS(C)(=O)=O)C2)c(OC)c1
InChIInChI=1S/C15H22N2O5S/c1-21-12-6-7-13(14(9-12)22-2)15(18)17-8-4-5-11(10-17)16-23(3,19)20/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeyMTVTZGRPDXGMOE-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-(2,3-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide
CID 51079432
(2,4-dimethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403188
[1-(2,4-dimethoxybenzoyl)pyrrolidin-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491871
N-[1-(4-amino-2-chlorobenzoyl)piperidin-3-yl]methanesulfonamide
CID 61107146
(4-chloro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493215
N-[1-(4-amino-5-chloro-2-methoxybenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 119793545
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 122258803
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
N-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 47184451
3-[3-(methanesulfonamido)piperidine-1-carbonyl]benzoic acid
CID 126773299

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide (CID 51079114) is N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide is COc1ccc(C(=O)N2CCCC(NS(C)(=O)=O)C2)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide?
The InChIKey is MTVTZGRPDXGMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-12-6-7-13(14(9-12)22-2)15(18)17-8-4-5-11(10-17)16-23(3,19)20/h6-7,9,11,16H,4-5,8,10H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide?
N-[1-(2,4-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-(2,4-dimethoxybenzoyl)piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 51079114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).