N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H23ClFN5O2 — CID 119804464

IUPACN-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1cn(C2CCNCC2)nn1)Oc1ccc(F)cc1.Cl
InChIInChI=1S/C17H22FN5O2.ClH/c1-12(25-15-4-2-13(18)3-5-15)10-20-17(24)16-11-23(22-21-16)14-6-8-19-9-7-14;/h2-5,11-12,14,19H,6-10H2,1H3,(H,20,24);1H
InChIKeyXCHVGWDMLIMUGC-UHFFFAOYSA-N
MW383.86 g/mol
LogP1.96
Rot. Bonds6

About N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119804464) has the molecular formula C17H23ClFN5O2 and a molecular weight of 383.86 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119804464
Molecular FormulaC17H23ClFN5O2
Molecular Weight383.86 g/mol
Exact Mass383.15
IUPAC NameN-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(CNC(=O)c1cn(C2CCNCC2)nn1)Oc1ccc(F)cc1.Cl
InChIInChI=1S/C17H22FN5O2.ClH/c1-12(25-15-4-2-13(18)3-5-15)10-20-17(24)16-11-23(22-21-16)14-6-8-19-9-7-14;/h2-5,11-12,14,19H,6-10H2,1H3,(H,20,24);1H
InChIKeyXCHVGWDMLIMUGC-UHFFFAOYSA-N
XLogP1.96
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119792678
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119866548
N-[3-(4-methylphenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119757238
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119804464) is N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(CNC(=O)c1cn(C2CCNCC2)nn1)Oc1ccc(F)cc1.Cl.
What is the InChIKey of N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is XCHVGWDMLIMUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2.ClH/c1-12(25-15-4-2-13(18)3-5-15)10-20-17(24)16-11-23(22-21-16)14-6-8-19-9-7-14;/h2-5,11-12,14,19H,6-10H2,1H3,(H,20,24);1H.
What are the key properties of N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 383.86 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119804464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).