3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one

C25H30N4O — CID 95838883

IUPAC3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1
InChIInChI=1S/C25H30N4O/c1-19(2)25-26-15-17-29(25)23-12-6-11-22(27-23)21-10-7-16-28(18-21)24(30)14-13-20-8-4-3-5-9-20/h3-6,8-9,11-12,15,17,19,21H,7,10,13-14,16,18H2,1-2H3/t21-/m0/s1
InChIKeyUVVAYPJVZPYEEW-NRFANRHFSA-N
MW402.54 g/mol
LogP4.73
Rot. Bonds6

About 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 95838883) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
PubChem CID95838883
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1
InChIInChI=1S/C25H30N4O/c1-19(2)25-26-15-17-29(25)23-12-6-11-22(27-23)21-10-7-16-28(18-21)24(30)14-13-20-8-4-3-5-9-20/h3-6,8-9,11-12,15,17,19,21H,7,10,13-14,16,18H2,1-2H3/t21-/m0/s1
InChIKeyUVVAYPJVZPYEEW-NRFANRHFSA-N
XLogP4.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one
CID 95838472
3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95810931
1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95838850
(4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838776
[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268069
(4-methyl-1,3-thiazol-5-yl)-[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110268009
2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839046
2-(1-cyclopentylpiperidin-3-yl)-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 110268048
1-[(3S)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95810928
2-(1-cyclohexylpiperidin-3-yl)-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 110268052
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839005
4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 110267789

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 95838883) is 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one is CC(C)c1nccn1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1.
What is the InChIKey of 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
The InChIKey is UVVAYPJVZPYEEW-NRFANRHFSA-N. The full InChI is InChI=1S/C25H30N4O/c1-19(2)25-26-15-17-29(25)23-12-6-11-22(27-23)21-10-7-16-28(18-21)24(30)14-13-20-8-4-3-5-9-20/h3-6,8-9,11-12,15,17,19,21H,7,10,13-14,16,18H2,1-2H3/t21-/m0/s1.
What are the key properties of 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one?
3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 402.54 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95838883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).