5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H25N7O2 — CID 119858954

IUPAC5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OCc3nccn3C)cc2)nnn1C1CCNCC1
InChIInChI=1S/C20H25N7O2/c1-14-19(24-25-27(14)16-7-9-21-10-8-16)20(28)23-15-3-5-17(6-4-15)29-13-18-22-11-12-26(18)2/h3-6,11-12,16,21H,7-10,13H2,1-2H3,(H,23,28)
InChIKeySIJSTVFRJKNZFU-UHFFFAOYSA-N
MW395.47 g/mol
LogP2.08
Rot. Bonds6

About 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119858954) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119858954
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(OCc3nccn3C)cc2)nnn1C1CCNCC1
InChIInChI=1S/C20H25N7O2/c1-14-19(24-25-27(14)16-7-9-21-10-8-16)20(28)23-15-3-5-17(6-4-15)29-13-18-22-11-12-26(18)2/h3-6,11-12,16,21H,7-10,13H2,1-2H3,(H,23,28)
InChIKeySIJSTVFRJKNZFU-UHFFFAOYSA-N
XLogP2.08
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763416
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119852347
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
5-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119852346
N-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119668978
N-(3-ethoxy-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119717648
5-methyl-N-[2-(4-methylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681133
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119858954) is 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(OCc3nccn3C)cc2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is SIJSTVFRJKNZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-14-19(24-25-27(14)16-7-9-21-10-8-16)20(28)23-15-3-5-17(6-4-15)29-13-18-22-11-12-26(18)2/h3-6,11-12,16,21H,7-10,13H2,1-2H3,(H,23,28).
What are the key properties of 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 395.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119858954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).