4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one

C26H32N4O — CID 95838472

IUPAC4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one
SMILESCC(C)c1nccn1-c1cccc(C2CCN(C(=O)CCCc3ccccc3)CC2)n1
InChIInChI=1S/C26H32N4O/c1-20(2)26-27-16-19-30(26)24-12-7-11-23(28-24)22-14-17-29(18-15-22)25(31)13-6-10-21-8-4-3-5-9-21/h3-5,7-9,11-12,16,19-20,22H,6,10,13-15,17-18H2,1-2H3
InChIKeyBVBDKGGCDHCNDB-UHFFFAOYSA-N
MW416.57 g/mol
LogP5.12
Rot. Bonds7

About 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one

4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one (PubChem CID 95838472) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one
PubChem CID95838472
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC Name4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one
SMILESCC(C)c1nccn1-c1cccc(C2CCN(C(=O)CCCc3ccccc3)CC2)n1
InChIInChI=1S/C26H32N4O/c1-20(2)26-27-16-19-30(26)24-12-7-11-23(28-24)22-14-17-29(18-15-22)25(31)13-6-10-21-8-4-3-5-9-21/h3-5,7-9,11-12,16,19-20,22H,6,10,13-15,17-18H2,1-2H3
InChIKeyBVBDKGGCDHCNDB-UHFFFAOYSA-N
XLogP5.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95838883
4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 110267789
3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95839172
2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839046
2-piperidin-4-yl-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 110089751
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839005
[3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268069
3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95810931
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
2-(4-methoxyphenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95838767
1-[4-[(1S)-1-morpholin-4-ylethyl]piperidin-1-yl]-4-phenylbutan-1-one
CID 95874166
4-(4-methoxyphenyl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 118775678

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one (CID 95838472) is 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one is CC(C)c1nccn1-c1cccc(C2CCN(C(=O)CCCc3ccccc3)CC2)n1.
What is the InChIKey of 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one?
The InChIKey is BVBDKGGCDHCNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-20(2)26-27-16-19-30(26)24-12-7-11-23(28-24)22-14-17-29(18-15-22)25(31)13-6-10-21-8-4-3-5-9-21/h3-5,7-9,11-12,16,19-20,22H,6,10,13-15,17-18H2,1-2H3.
What are the key properties of 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one?
4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one has a molecular weight of 416.57 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95838472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).