1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C23H30N4O6S — CID 55957937

IUPAC1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)cc1OC
InChIInChI=1S/C23H30N4O6S/c1-16-6-4-11-24-22(16)26-23(29)17-7-5-13-27(15-17)21(28)10-12-25-34(30,31)18-8-9-19(32-2)20(14-18)33-3/h4,6,8-9,11,14,17,25H,5,7,10,12-13,15H2,1-3H3,(H,24,26,29)
InChIKeyPVPNRMTWMJPVJP-UHFFFAOYSA-N
MW490.58 g/mol
LogP1.95
Rot. Bonds9

About 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55957937) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55957937
Molecular FormulaC23H30N4O6S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC Name1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)cc1OC
InChIInChI=1S/C23H30N4O6S/c1-16-6-4-11-24-22(16)26-23(29)17-7-5-13-27(15-17)21(28)10-12-25-34(30,31)18-8-9-19(32-2)20(14-18)33-3/h4,6,8-9,11,14,17,25H,5,7,10,12-13,15H2,1-3H3,(H,24,26,29)
InChIKeyPVPNRMTWMJPVJP-UHFFFAOYSA-N
XLogP1.95
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55959090
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 108802609
3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
CID 56532927
N-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119595950
1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895414
N-(3-methyl-2-pyridinyl)-1-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]piperidine-3-carboxamide
CID 55896428
1-(2-benzhydryloxyacetyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895787
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55958705
(3R)-1-[3-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-3-carboxylic acid
CID 94830904
N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide
CID 55896049
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895664

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55957937) is 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)NCCC(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)cc1OC.
What is the InChIKey of 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PVPNRMTWMJPVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S/c1-16-6-4-11-24-22(16)26-23(29)17-7-5-13-27(15-17)21(28)10-12-25-34(30,31)18-8-9-19(32-2)20(14-18)33-3/h4,6,8-9,11,14,17,25H,5,7,10,12-13,15H2,1-3H3,(H,24,26,29).
What are the key properties of 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 1.95, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55957937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).