N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H25ClFN5O — CID 119799654

IUPACN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2(c3cccc(F)c3)CC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H24FN5O.ClH/c1-13-17(23-24-25(13)16-5-9-21-10-6-16)18(26)22-12-19(7-8-19)14-3-2-4-15(20)11-14;/h2-4,11,16,21H,5-10,12H2,1H3,(H,22,26);1H
InChIKeyNOEWMLQGNAVHEY-UHFFFAOYSA-N
MW393.89 g/mol
LogP2.53
Rot. Bonds5

About N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119799654) has the molecular formula C19H25ClFN5O and a molecular weight of 393.89 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119799654
Molecular FormulaC19H25ClFN5O
Molecular Weight393.89 g/mol
Exact Mass393.17
IUPAC NameN-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2(c3cccc(F)c3)CC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C19H24FN5O.ClH/c1-13-17(23-24-25(13)16-5-9-21-10-6-16)18(26)22-12-19(7-8-19)14-3-2-4-15(20)11-14;/h2-4,11,16,21H,5-10,12H2,1H3,(H,22,26);1H
InChIKeyNOEWMLQGNAVHEY-UHFFFAOYSA-N
XLogP2.53
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119816176
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CID 119783271
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767728
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766068
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
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N-[2-(1H-indol-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 126792948
5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride
CID 119847239
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119786134
5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119799654) is N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCC2(c3cccc(F)c3)CC2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is NOEWMLQGNAVHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O.ClH/c1-13-17(23-24-25(13)16-5-9-21-10-6-16)18(26)22-12-19(7-8-19)14-3-2-4-15(20)11-14;/h2-4,11,16,21H,5-10,12H2,1H3,(H,22,26);1H.
What are the key properties of N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 393.89 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 N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119799654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).