N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H28ClN5O3 — CID 119792678

IUPACN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(C(O)CNC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C19H27N5O3.ClH/c1-13(2)27-16-5-3-14(4-6-16)18(25)11-21-19(26)17-12-24(23-22-17)15-7-9-20-10-8-15;/h3-6,12-13,15,18,20,25H,7-11H2,1-2H3,(H,21,26);1H
InChIKeyUWAIZFGAPCTLAA-UHFFFAOYSA-N
MW409.92 g/mol
LogP1.88
Rot. Bonds7

About N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119792678) has the molecular formula C19H28ClN5O3 and a molecular weight of 409.92 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119792678
Molecular FormulaC19H28ClN5O3
Molecular Weight409.92 g/mol
Exact Mass409.19
IUPAC NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(C(O)CNC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C19H27N5O3.ClH/c1-13(2)27-16-5-3-14(4-6-16)18(25)11-21-19(26)17-12-24(23-22-17)15-7-9-20-10-8-15;/h3-6,12-13,15,18,20,25H,7-11H2,1-2H3,(H,21,26);1H
InChIKeyUWAIZFGAPCTLAA-UHFFFAOYSA-N
XLogP1.88
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804464
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815206
N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804407
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)triazole-4-carboxamide
CID 63284386
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(3-methyl-2-pyridin-3-ylbutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119899969

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119792678) is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(C)Oc1ccc(C(O)CNC(=O)c2cn(C3CCNCC3)nn2)cc1.Cl.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is UWAIZFGAPCTLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3.ClH/c1-13(2)27-16-5-3-14(4-6-16)18(25)11-21-19(26)17-12-24(23-22-17)15-7-9-20-10-8-15;/h3-6,12-13,15,18,20,25H,7-11H2,1-2H3,(H,21,26);1H.
What are the key properties of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 409.92 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119792678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).