5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H29N5O — CID 119756975

IUPAC5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(C(C)(C)CNC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C20H29N5O/c1-14-6-5-7-16(12-14)20(3,4)13-22-19(26)18-15(2)25(24-23-18)17-8-10-21-11-9-17/h5-7,12,17,21H,8-11,13H2,1-4H3,(H,22,26)
InChIKeyKDVZPYJDQCUDTO-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.53
Rot. Bonds5

About 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119756975) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119756975
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(C(C)(C)CNC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C20H29N5O/c1-14-6-5-7-16(12-14)20(3,4)13-22-19(26)18-15(2)25(24-23-18)17-8-10-21-11-9-17/h5-7,12,17,21H,8-11,13H2,1-4H3,(H,22,26)
InChIKeyKDVZPYJDQCUDTO-UHFFFAOYSA-N
XLogP2.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766068
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790971
5-methyl-N-(2-methyl-2-phenylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119801261
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119810301
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
5-methyl-1-piperidin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 119697678
N-[3-[(3-fluorobenzoyl)amino]propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119783271
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119680434

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119756975) is 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1cccc(C(C)(C)CNC(=O)c2nnn(C3CCNCC3)c2C)c1.
What is the InChIKey of 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is KDVZPYJDQCUDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-14-6-5-7-16(12-14)20(3,4)13-22-19(26)18-15(2)25(24-23-18)17-8-10-21-11-9-17/h5-7,12,17,21H,8-11,13H2,1-4H3,(H,22,26).
What are the key properties of 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119756975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).