1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one

C30H33N3O — CID 4277904

IUPAC1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(CC(=O)N1CCC(Cc2ccccc2)CC1)c1cnc2c(C)cccn12
InChIInChI=1S/C30H33N3O/c1-22-9-6-7-13-26(22)27(28-21-31-30-23(2)10-8-16-33(28)30)20-29(34)32-17-14-25(15-18-32)19-24-11-4-3-5-12-24/h3-13,16,21,25,27H,14-15,17-20H2,1-2H3
InChIKeyUCZKHJILMJEPNR-UHFFFAOYSA-N
MW451.61 g/mol
LogP5.95
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one

1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one (PubChem CID 4277904) has the molecular formula C30H33N3O and a molecular weight of 451.61 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one
PubChem CID4277904
Molecular FormulaC30H33N3O
Molecular Weight451.61 g/mol
Exact Mass451.26
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(CC(=O)N1CCC(Cc2ccccc2)CC1)c1cnc2c(C)cccn12
InChIInChI=1S/C30H33N3O/c1-22-9-6-7-13-26(22)27(28-21-31-30-23(2)10-8-16-33(28)30)20-29(34)32-17-14-25(15-18-32)19-24-11-4-3-5-12-24/h3-13,16,21,25,27H,14-15,17-20H2,1-2H3
InChIKeyUCZKHJILMJEPNR-UHFFFAOYSA-N
XLogP5.95
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-morpholin-4-ylpropan-1-one
CID 42783751
N-cyclohexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide
CID 4147346
3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 42783552
1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4227777
(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 42245855
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42783571
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42784065
3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 56897661
1-[4-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-3,3-bis(2-methylphenyl)propan-1-one
CID 24794732
1-(4-ethylpiperazin-1-yl)-3-(2-methylphenyl)-3-(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42879930

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one (CID 4277904) is 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one is Cc1ccccc1C(CC(=O)N1CCC(Cc2ccccc2)CC1)c1cnc2c(C)cccn12.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one?
The InChIKey is UCZKHJILMJEPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O/c1-22-9-6-7-13-26(22)27(28-21-31-30-23(2)10-8-16-33(28)30)20-29(34)32-17-14-25(15-18-32)19-24-11-4-3-5-12-24/h3-13,16,21,25,27H,14-15,17-20H2,1-2H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one?
1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one has a molecular weight of 451.61 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 4277904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).