1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one

C28H28ClN3O — CID 4227777

IUPAC1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cnc2ccc(Cl)cn12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H28ClN3O/c29-24-11-12-27-30-19-26(32(27)20-24)25(23-9-5-2-6-10-23)18-28(33)31-15-13-22(14-16-31)17-21-7-3-1-4-8-21/h1-12,19-20,22,25H,13-18H2
InChIKeyQIQUTSPTWQKNLV-UHFFFAOYSA-N
MW458.01 g/mol
LogP5.99
Rot. Bonds6

About 1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one

1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one (PubChem CID 4227777) has the molecular formula C28H28ClN3O and a molecular weight of 458.01 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
PubChem CID4227777
Molecular FormulaC28H28ClN3O
Molecular Weight458.01 g/mol
Exact Mass457.19
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cnc2ccc(Cl)cn12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H28ClN3O/c29-24-11-12-27-30-19-26(32(27)20-24)25(23-9-5-2-6-10-23)18-28(33)31-15-13-22(14-16-31)17-21-7-3-1-4-8-21/h1-12,19-20,22,25H,13-18H2
InChIKeyQIQUTSPTWQKNLV-UHFFFAOYSA-N
XLogP5.99
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.01
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-1-piperidin-1-ylpropan-1-one
CID 42783664
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 42783658
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 42783657
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 42783669
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-1-piperidin-1-ylpropan-1-one
CID 42783692
1-(4-benzylpiperidin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propan-1-one
CID 4277904
1-(4-benzylpiperidin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone
CID 8706744
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 4611202
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,5-dimethoxyphenyl)propan-1-one
CID 42784245
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
5-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 122048849

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one (CID 4227777) is 1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one is O=C(CC(c1ccccc1)c1cnc2ccc(Cl)cn12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
The InChIKey is QIQUTSPTWQKNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClN3O/c29-24-11-12-27-30-19-26(32(27)20-24)25(23-9-5-2-6-10-23)18-28(33)31-15-13-22(14-16-31)17-21-7-3-1-4-8-21/h1-12,19-20,22,25H,13-18H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one?
1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one has a molecular weight of 458.01 g/mol, XLogP of 5.99, 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-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 4227777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).