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

C20H27ClFN5O2 — CID 119816176

IUPACN-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2(c3cccc(F)c3)CCOCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H26FN5O2.ClH/c1-14-18(24-25-26(14)17-5-9-22-10-6-17)19(27)23-20(7-11-28-12-8-20)15-3-2-4-16(21)13-15;/h2-4,13,17,22H,5-12H2,1H3,(H,23,27);1H
InChIKeyWLJQMJFOGKYEBJ-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.51
Rot. Bonds4

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

N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119816176) has the molecular formula C20H27ClFN5O2 and a molecular weight of 423.92 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119816176
Molecular FormulaC20H27ClFN5O2
Molecular Weight423.92 g/mol
Exact Mass423.18
IUPAC NameN-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2(c3cccc(F)c3)CCOCC2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C20H26FN5O2.ClH/c1-14-18(24-25-26(14)17-5-9-22-10-6-17)19(27)23-20(7-11-28-12-8-20)15-3-2-4-16(21)13-15;/h2-4,13,17,22H,5-12H2,1H3,(H,23,27);1H
InChIKeyWLJQMJFOGKYEBJ-UHFFFAOYSA-N
XLogP2.51
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
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CID 119767728
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119765781
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1,2-benzothiazole-3-carboxamide
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N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119816176) is N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC2(c3cccc(F)c3)CCOCC2)nnn1C1CCNCC1.Cl.
What is the InChIKey of N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is WLJQMJFOGKYEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2.ClH/c1-14-18(24-25-26(14)17-5-9-22-10-6-17)19(27)23-20(7-11-28-12-8-20)15-3-2-4-16(21)13-15;/h2-4,13,17,22H,5-12H2,1H3,(H,23,27);1H.
What are the key properties of N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 423.92 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)oxan-4-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119816176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).