N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C18H25N5O2 — CID 119728769

IUPACN-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1C
InChIInChI=1S/C18H25N5O2/c1-11-5-6-15(12(2)17(11)25-4)20-18(24)16-13(3)23(22-21-16)14-7-9-19-10-8-14/h5-6,14,19H,7-10H2,1-4H3,(H,20,24)
InChIKeyDLJLSDRPIJFLOU-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.39
Rot. Bonds4

About N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119728769) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119728769
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1c(C)ccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1C
InChIInChI=1S/C18H25N5O2/c1-11-5-6-15(12(2)17(11)25-4)20-18(24)16-13(3)23(22-21-16)14-7-9-19-10-8-14/h5-6,14,19H,7-10H2,1-4H3,(H,20,24)
InChIKeyDLJLSDRPIJFLOU-UHFFFAOYSA-N
XLogP2.39
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705929
N-[2-(cyclopropylcarbamoyl)-4-methoxyphenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119778177
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679218
N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119808220
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119760851
5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 119691535
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
5-methyl-1-piperidin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119716036
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119728769) is N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is COc1c(C)ccc(NC(=O)c2nnn(C3CCNCC3)c2C)c1C.
What is the InChIKey of N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is DLJLSDRPIJFLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-5-6-15(12(2)17(11)25-4)20-18(24)16-13(3)23(22-21-16)14-7-9-19-10-8-14/h5-6,14,19H,7-10H2,1-4H3,(H,20,24).
What are the key properties of N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119728769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).