(4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone

C29H31N3O2 — CID 42690193

IUPAC(4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1c(C)cc(-c2ccc3nc(C(=O)N4CCC(Cc5ccccc5)CC4)cn3c2)cc1C
InChIInChI=1S/C29H31N3O2/c1-20-15-25(16-21(2)28(20)34-3)24-9-10-27-30-26(19-32(27)18-24)29(33)31-13-11-23(12-14-31)17-22-7-5-4-6-8-22/h4-10,15-16,18-19,23H,11-14,17H2,1-3H3
InChIKeyQRKOEPAUPKOYRB-UHFFFAOYSA-N
MW453.59 g/mol
LogP5.72
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone

(4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 42690193) has the molecular formula C29H31N3O2 and a molecular weight of 453.59 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID42690193
Molecular FormulaC29H31N3O2
Molecular Weight453.59 g/mol
Exact Mass453.24
IUPAC Name(4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1c(C)cc(-c2ccc3nc(C(=O)N4CCC(Cc5ccccc5)CC4)cn3c2)cc1C
InChIInChI=1S/C29H31N3O2/c1-20-15-25(16-21(2)28(20)34-3)24-9-10-27-30-26(19-32(27)18-24)29(33)31-13-11-23(12-14-31)17-22-7-5-4-6-8-22/h4-10,15-16,18-19,23H,11-14,17H2,1-3H3
InChIKeyQRKOEPAUPKOYRB-UHFFFAOYSA-N
XLogP5.72
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
6-(4-methoxy-3,5-dimethylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690204
(4-benzylpiperidin-1-yl)-[1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 42755403
(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 68628444
(4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone
CID 42876520
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79612699
(4-benzylpiperidin-1-yl)-imidazo[2,1-b][1,3,4]thiadiazol-6-ylmethanone
CID 110855837
(4-benzylpiperidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methanone
CID 55787641
(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
CID 22523470
(4-benzylpiperidin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20918352
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821564
(4-benzylpiperidin-1-yl)-[4-(4-methylphenyl)thiadiazol-5-yl]methanone
CID 100748960

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 42690193) is (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone is COc1c(C)cc(-c2ccc3nc(C(=O)N4CCC(Cc5ccccc5)CC4)cn3c2)cc1C.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is QRKOEPAUPKOYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O2/c1-20-15-25(16-21(2)28(20)34-3)24-9-10-27-30-26(19-32(27)18-24)29(33)31-13-11-23(12-14-31)17-22-7-5-4-6-8-22/h4-10,15-16,18-19,23H,11-14,17H2,1-3H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
(4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 453.59 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 42690193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).