N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide

C17H22FN5O — CID 119681572

IUPACN-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cccc(F)c2)nnn1C1CCNCC1
InChIInChI=1S/C17H22FN5O/c1-12-16(20-21-23(12)15-6-8-19-9-7-15)17(24)22(2)11-13-4-3-5-14(18)10-13/h3-5,10,15,19H,6-9,11H2,1-2H3
InChIKeyAZIVWHRWEXSXRL-UHFFFAOYSA-N
MW331.39 g/mol
LogP1.92
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide

N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119681572) has the molecular formula C17H22FN5O and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119681572
Molecular FormulaC17H22FN5O
Molecular Weight331.39 g/mol
Exact Mass331.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cccc(F)c2)nnn1C1CCNCC1
InChIInChI=1S/C17H22FN5O/c1-12-16(20-21-23(12)15-6-8-19-9-7-15)17(24)22(2)11-13-4-3-5-14(18)10-13/h3-5,10,15,19H,6-9,11H2,1-2H3
InChIKeyAZIVWHRWEXSXRL-UHFFFAOYSA-N
XLogP1.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766858
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119736858
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681231
N-[3-[(3-fluorobenzoyl)amino]propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119783271
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119799769
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119799654
N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119680833
N-benzyl-5-methyl-N-(4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 166228127
N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119836424
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119681572) is N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2cccc(F)c2)nnn1C1CCNCC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is AZIVWHRWEXSXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O/c1-12-16(20-21-23(12)15-6-8-19-9-7-15)17(24)22(2)11-13-4-3-5-14(18)10-13/h3-5,10,15,19H,6-9,11H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 331.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119681572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).