1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide

C17H25N3O6S — CID 30148326

IUPAC1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(N)=O)CC2)c(N(C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H25N3O6S/c1-19(27(4,23)24)13-10-15(26-3)14(25-2)9-12(13)17(22)20-7-5-11(6-8-20)16(18)21/h9-11H,5-8H2,1-4H3,(H2,18,21)
InChIKeyDAWMFOAOSNHJAQ-UHFFFAOYSA-N
MW399.47 g/mol
LogP0.44
Rot. Bonds6

About 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide

1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide (PubChem CID 30148326) has the molecular formula C17H25N3O6S and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide
PubChem CID30148326
Molecular FormulaC17H25N3O6S
Molecular Weight399.47 g/mol
Exact Mass399.15
IUPAC Name1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CCC(C(N)=O)CC2)c(N(C)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H25N3O6S/c1-19(27(4,23)24)13-10-15(26-3)14(25-2)9-12(13)17(22)20-7-5-11(6-8-20)16(18)21/h9-11H,5-8H2,1-4H3,(H2,18,21)
InChIKeyDAWMFOAOSNHJAQ-UHFFFAOYSA-N
XLogP0.44
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 27260946
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 30148619
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
1-(4-ethoxy-5-methoxy-2-nitrobenzoyl)piperidine-4-carboxamide
CID 32978677
N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4,5-dimethoxyphenyl]-N-methylmethanesulfonamide
CID 30148342
1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 28591148
1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxamide
CID 963964
1-[(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95186261
1-[(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 8991567
1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 17312286

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide (CID 30148326) is 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide is COc1cc(C(=O)N2CCC(C(N)=O)CC2)c(N(C)S(C)(=O)=O)cc1OC.
What is the InChIKey of 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide?
The InChIKey is DAWMFOAOSNHJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6S/c1-19(27(4,23)24)13-10-15(26-3)14(25-2)9-12(13)17(22)20-7-5-11(6-8-20)16(18)21/h9-11H,5-8H2,1-4H3,(H2,18,21).
What are the key properties of 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide?
1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 30148326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).