N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide

C17H23N5O5S — CID 90592387

IUPACN-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc(OC)c1
InChIInChI=1S/C17H23N5O5S/c1-21-11-18-20-17(21)28(24,25)15-4-6-22(7-5-15)16(23)19-12-8-13(26-2)10-14(9-12)27-3/h8-11,15H,4-7H2,1-3H3,(H,19,23)
InChIKeyYDELFGCHOISCLW-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.30
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide (PubChem CID 90592387) has the molecular formula C17H23N5O5S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
PubChem CID90592387
Molecular FormulaC17H23N5O5S
Molecular Weight409.47 g/mol
Exact Mass409.14
IUPAC NameN-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc(OC)c1
InChIInChI=1S/C17H23N5O5S/c1-21-11-18-20-17(21)28(24,25)15-4-6-22(7-5-15)16(23)19-12-8-13(26-2)10-14(9-12)27-3/h8-11,15H,4-7H2,1-3H3,(H,19,23)
InChIKeyYDELFGCHOISCLW-UHFFFAOYSA-N
XLogP1.30
TPSA115.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
3-(2,4-dimethoxyphenyl)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]propan-1-one
CID 90592217
N-benzhydryl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592379
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
methyl 2-[1-[(3-methoxyphenyl)carbamoyl]piperidin-4-yl]sulfonylbenzoate
CID 24731892
1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592472
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
N-[(4-chlorophenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide
CID 90592378
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
2-(3-methylphenoxy)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone
CID 90592138
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
(3-iodophenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592361

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide (CID 90592387) is N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(S(=O)(=O)c3nncn3C)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide?
The InChIKey is YDELFGCHOISCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O5S/c1-21-11-18-20-17(21)28(24,25)15-4-6-22(7-5-15)16(23)19-12-8-13(26-2)10-14(9-12)27-3/h8-11,15H,4-7H2,1-3H3,(H,19,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine-1-carboxamide is sourced from PubChem (CID 90592387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).