N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

C19H27N5O3S — CID 86945874

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N(C)Cc3nnc(C)n3C)C2)cc1
InChIInChI=1S/C19H27N5O3S/c1-14-7-9-17(10-8-14)28(26,27)24-11-5-6-16(12-24)19(25)22(3)13-18-21-20-15(2)23(18)4/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyJBSVPKDXQISLPR-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.49
Rot. Bonds5

About N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 86945874) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID86945874
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)N(C)Cc3nnc(C)n3C)C2)cc1
InChIInChI=1S/C19H27N5O3S/c1-14-7-9-17(10-8-14)28(26,27)24-11-5-6-16(12-24)19(25)22(3)13-18-21-20-15(2)23(18)4/h7-10,16H,5-6,11-13H2,1-4H3
InChIKeyJBSVPKDXQISLPR-UHFFFAOYSA-N
XLogP1.49
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-methyl-N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100665394
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
(3R)-1-(dimethylsulfamoyl)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 28631723
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168155
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 31118654
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylbenzamide
CID 86945904
(3S)-1-(4-bromophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 38046855
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719
(3R)-N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156195
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 86945874) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(C)Cc3nnc(C)n3C)C2)cc1.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is JBSVPKDXQISLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-14-7-9-17(10-8-14)28(26,27)24-11-5-6-16(12-24)19(25)22(3)13-18-21-20-15(2)23(18)4/h7-10,16H,5-6,11-13H2,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 86945874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).