1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide

C16H19ClFN5O — CID 120576465

IUPAC1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2C)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN5O/c1-9-14(4-3-7-19-9)20-16(24)15-10(2)23(22-21-15)11-5-6-13(18)12(17)8-11/h5-6,8-9,14,19H,3-4,7H2,1-2H3,(H,20,24)
InChIKeyLMLYJTDABALGMC-UHFFFAOYSA-N
MW351.81 g/mol
LogP2.24
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide

1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide (PubChem CID 120576465) has the molecular formula C16H19ClFN5O and a molecular weight of 351.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
PubChem CID120576465
Molecular FormulaC16H19ClFN5O
Molecular Weight351.81 g/mol
Exact Mass351.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCNC2C)nnn1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H19ClFN5O/c1-9-14(4-3-7-19-9)20-16(24)15-10(2)23(22-21-15)11-5-6-13(18)12(17)8-11/h5-6,8-9,14,19H,3-4,7H2,1-2H3,(H,20,24)
InChIKeyLMLYJTDABALGMC-UHFFFAOYSA-N
XLogP2.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,3S)-3-[[1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677527
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
1-(2-fluorophenyl)-N-(2-methylpiperidin-3-yl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 120573418
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888
1-(3-chloro-4-fluorophenyl)-N-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 58191737
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 71878033
N-(1-amino-2-methylpropan-2-yl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 119524638
[1-(3-chloro-4-fluorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493022
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-5-yltriazole-4-carboxamide;dihydrochloride
CID 120576885
N-(3-amino-2-methylpropyl)-1-(3-chloro-4-fluorophenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119996110
2,3,4-trifluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 79749777
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide (CID 120576465) is 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide is Cc1c(C(=O)NC2CCCNC2C)nnn1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide?
The InChIKey is LMLYJTDABALGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN5O/c1-9-14(4-3-7-19-9)20-16(24)15-10(2)23(22-21-15)11-5-6-13(18)12(17)8-11/h5-6,8-9,14,19H,3-4,7H2,1-2H3,(H,20,24).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide?
1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide has a molecular weight of 351.81 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5-methyl-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 120576465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).