N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide

C24H29N5O2 — CID 45230197

IUPACN-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(CN2CCCC(n3cc(C(=O)NCCO)nn3)C2)cc1
InChIInChI=1S/C24H29N5O2/c1-18-5-2-3-7-22(18)20-10-8-19(9-11-20)15-28-13-4-6-21(16-28)29-17-23(26-27-29)24(31)25-12-14-30/h2-3,5,7-11,17,21,30H,4,6,12-16H2,1H3,(H,25,31)
InChIKeyWJIHRAHOJPPQBT-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.81
Rot. Bonds7

About N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide

N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide (PubChem CID 45230197) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
PubChem CID45230197
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
SMILESCc1ccccc1-c1ccc(CN2CCCC(n3cc(C(=O)NCCO)nn3)C2)cc1
InChIInChI=1S/C24H29N5O2/c1-18-5-2-3-7-22(18)20-10-8-19(9-11-20)15-28-13-4-6-21(16-28)29-17-23(26-27-29)24(31)25-12-14-30/h2-3,5,7-11,17,21,30H,4,6,12-16H2,1H3,(H,25,31)
InChIKeyWJIHRAHOJPPQBT-UHFFFAOYSA-N
XLogP2.81
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxypropyl)-1-[(3R)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343328
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26343330
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 28811962
N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26404892
N-(3-hydroxypropyl)-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45245179
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-(2-hydroxyethyl)triazole-4-carboxamide
CID 45250095
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563
N-(2-hydroxyethyl)-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45252092
N-(3-hydroxypropyl)-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26344410
N-cyclopentyl-1-[1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230126

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide (CID 45230197) is N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide is Cc1ccccc1-c1ccc(CN2CCCC(n3cc(C(=O)NCCO)nn3)C2)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is WJIHRAHOJPPQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-5-2-3-7-22(18)20-10-8-19(9-11-20)15-28-13-4-6-21(16-28)29-17-23(26-27-29)24(31)25-12-14-30/h2-3,5,7-11,17,21,30H,4,6,12-16H2,1H3,(H,25,31).
What are the key properties of N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide?
N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 45230197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).