N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide

C23H27N5O2 — CID 26404892

IUPACN-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NCCO)c1cn(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C23H27N5O2/c29-15-12-24-23(30)22-17-28(26-25-22)21-10-13-27(14-11-21)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,17,21,29H,10-16H2,(H,24,30)
InChIKeyRFOMWFGFOYJYEB-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.50
Rot. Bonds7

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

N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide (PubChem CID 26404892) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
PubChem CID26404892
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
SMILESO=C(NCCO)c1cn(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C23H27N5O2/c29-15-12-24-23(30)22-17-28(26-25-22)21-10-13-27(14-11-21)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,17,21,29H,10-16H2,(H,24,30)
InChIKeyRFOMWFGFOYJYEB-UHFFFAOYSA-N
XLogP2.50
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45230197
N-(3-hydroxypropyl)-1-[1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-4-yl]triazole-4-carboxamide
CID 126464666
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
N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56711997
methyl 4-[[4-[4-(propan-2-ylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 26352779
1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 45234972
N-hydroxy-1-[1-(4-phenylbenzoyl)piperidin-4-yl]triazole-4-carboxamide
CID 171348403
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413
[1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
CID 25292870
1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26341086
1-[(3R)-1-benzylpiperidin-3-yl]-N-cyclopentyltriazole-4-carboxamide
CID 42541563

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide (CID 26404892) is N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide is O=C(NCCO)c1cn(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)nn1.
What is the InChIKey of N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is RFOMWFGFOYJYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-15-12-24-23(30)22-17-28(26-25-22)21-10-13-27(14-11-21)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,17,21,29H,10-16H2,(H,24,30).
What are the key properties of N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide?
N-(2-hydroxyethyl)-1-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.50, 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-phenylphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 26404892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).