N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C22H34ClN5O2 — CID 119811777

IUPACN-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)c(OC(C)CC(C)C)c1.Cl
InChIInChI=1S/C22H33N5O2.ClH/c1-15(2)11-17(4)29-21-12-16(3)5-6-18(21)13-24-22(28)20-14-27(26-25-20)19-7-9-23-10-8-19;/h5-6,12,14-15,17,19,23H,7-11,13H2,1-4H3,(H,24,28);1H
InChIKeyLPPJPYZYSZGUHX-UHFFFAOYSA-N
MW436.00 g/mol
LogP3.68
Rot. Bonds8

About N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119811777) has the molecular formula C22H34ClN5O2 and a molecular weight of 436.00 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119811777
Molecular FormulaC22H34ClN5O2
Molecular Weight436.00 g/mol
Exact Mass435.24
IUPAC NameN-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)c(OC(C)CC(C)C)c1.Cl
InChIInChI=1S/C22H33N5O2.ClH/c1-15(2)11-17(4)29-21-12-16(3)5-6-18(21)13-24-22(28)20-14-27(26-25-20)19-7-9-23-10-8-19;/h5-6,12,14-15,17,19,23H,7-11,13H2,1-4H3,(H,24,28);1H
InChIKeyLPPJPYZYSZGUHX-UHFFFAOYSA-N
XLogP3.68
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.00
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811417
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339701
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-[2-(2-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804852
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767125

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119811777) is N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccc(CNC(=O)c2cn(C3CCNCC3)nn2)c(OC(C)CC(C)C)c1.Cl.
What is the InChIKey of N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is LPPJPYZYSZGUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2.ClH/c1-15(2)11-17(4)29-21-12-16(3)5-6-18(21)13-24-22(28)20-14-27(26-25-20)19-7-9-23-10-8-19;/h5-6,12,14-15,17,19,23H,7-11,13H2,1-4H3,(H,24,28);1H.
What are the key properties of N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 436.00 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119811777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).