N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C22H26ClN5O2 — CID 119726785

IUPACN-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)c(OCc2ccccc2)c1.Cl
InChIInChI=1S/C22H25N5O2.ClH/c1-16-7-8-19(21(13-16)29-15-17-5-3-2-4-6-17)24-22(28)20-14-27(26-25-20)18-9-11-23-12-10-18;/h2-8,13-14,18,23H,9-12,15H2,1H3,(H,24,28);1H
InChIKeyPHIQIPUJPLFSQP-UHFFFAOYSA-N
MW427.94 g/mol
LogP3.76
Rot. Bonds6

About N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119726785) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119726785
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC NameN-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)c(OCc2ccccc2)c1.Cl
InChIInChI=1S/C22H25N5O2.ClH/c1-16-7-8-19(21(13-16)29-15-17-5-3-2-4-6-17)24-22(28)20-14-27(26-25-20)18-9-11-23-12-10-18;/h2-8,13-14,18,23H,9-12,15H2,1H3,(H,24,28);1H
InChIKeyPHIQIPUJPLFSQP-UHFFFAOYSA-N
XLogP3.76
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119740560
N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119743239
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
N-(4-bromo-2-ethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812500
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-[2-(ethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714079
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
N-[2-(2-chlorophenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119696321
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811417
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119726785) is N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)c(OCc2ccccc2)c1.Cl.
What is the InChIKey of N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is PHIQIPUJPLFSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.ClH/c1-16-7-8-19(21(13-16)29-15-17-5-3-2-4-6-17)24-22(28)20-14-27(26-25-20)18-9-11-23-12-10-18;/h2-8,13-14,18,23H,9-12,15H2,1H3,(H,24,28);1H.
What are the key properties of N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 427.94 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-phenylmethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119726785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).