N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C15H18ClF2N5O — CID 119709617

IUPACN-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc(F)ccc1F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H17F2N5O.ClH/c16-11-1-2-13(17)10(7-11)8-19-15(23)14-9-22(21-20-14)12-3-5-18-6-4-12;/h1-2,7,9,12,18H,3-6,8H2,(H,19,23);1H
InChIKeyUPEFFHAKJLSLNK-UHFFFAOYSA-N
MW357.79 g/mol
LogP1.83
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119709617) has the molecular formula C15H18ClF2N5O and a molecular weight of 357.79 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119709617
Molecular FormulaC15H18ClF2N5O
Molecular Weight357.79 g/mol
Exact Mass357.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cc(F)ccc1F)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H17F2N5O.ClH/c16-11-1-2-13(17)10(7-11)8-19-15(23)14-9-22(21-20-14)12-3-5-18-6-4-12;/h1-2,7,9,12,18H,3-6,8H2,(H,19,23);1H
InChIKeyUPEFFHAKJLSLNK-UHFFFAOYSA-N
XLogP1.83
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813950
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767125
N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804464
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119898336
1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119733849

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119709617) is N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(NCc1cc(F)ccc1F)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is UPEFFHAKJLSLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O.ClH/c16-11-1-2-13(17)10(7-11)8-19-15(23)14-9-22(21-20-14)12-3-5-18-6-4-12;/h1-2,7,9,12,18H,3-6,8H2,(H,19,23);1H.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 357.79 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119709617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).