3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide

C30H30N4O2 — CID 134108512

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
SMILESC#CCNC(=O)c1ccc2nc(-c3ccc(O)cc3)c(CN3CCC(Cc4ccccc4)CC3)n2c1
InChIInChI=1S/C30H30N4O2/c1-2-16-31-30(36)25-10-13-28-32-29(24-8-11-26(35)12-9-24)27(34(28)20-25)21-33-17-14-23(15-18-33)19-22-6-4-3-5-7-22/h1,3-13,20,23,35H,14-19,21H2,(H,31,36)
InChIKeyCAAAHVDBIGIZEI-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.52
Rot. Bonds7

About 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide

3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 134108512) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID134108512
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
SMILESC#CCNC(=O)c1ccc2nc(-c3ccc(O)cc3)c(CN3CCC(Cc4ccccc4)CC3)n2c1
InChIInChI=1S/C30H30N4O2/c1-2-16-31-30(36)25-10-13-28-32-29(24-8-11-26(35)12-9-24)27(34(28)20-25)21-33-17-14-23(15-18-33)19-22-6-4-3-5-7-22/h1,3-13,20,23,35H,14-19,21H2,(H,31,36)
InChIKeyCAAAHVDBIGIZEI-UHFFFAOYSA-N
XLogP4.52
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
CID 134108516
3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
CID 134108514
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
(E)-3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 11951459
3-[3-[(4-benzylpiperidin-1-yl)methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 73151542
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
1-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-2-methoxyethanone
CID 121309686
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
1-[4-[[6-(4-acetylphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 91634883
1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759949
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-N-prop-2-ynyl-2H-1,2-oxazole-5-carboxamide
CID 91578944

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide (CID 134108512) is 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide is C#CCNC(=O)c1ccc2nc(-c3ccc(O)cc3)c(CN3CCC(Cc4ccccc4)CC3)n2c1.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CAAAHVDBIGIZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-2-16-31-30(36)25-10-13-28-32-29(24-8-11-26(35)12-9-24)27(34(28)20-25)21-33-17-14-23(15-18-33)19-22-6-4-3-5-7-22/h1,3-13,20,23,35H,14-19,21H2,(H,31,36).
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 134108512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).