3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C24H29N5O — CID 95810931

IUPAC3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C24H29N5O/c1-18(2)23-27-14-16-29(23)24-22(25-12-13-26-24)20-9-6-15-28(17-20)21(30)11-10-19-7-4-3-5-8-19/h3-5,7-8,12-14,16,18,20H,6,9-11,15,17H2,1-2H3/t20-/m1/s1
InChIKeyOBTPVUJERFULCR-HXUWFJFHSA-N
MW403.53 g/mol
LogP4.12
Rot. Bonds6

About 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one

3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 95810931) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID95810931
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C24H29N5O/c1-18(2)23-27-14-16-29(23)24-22(25-12-13-26-24)20-9-6-15-28(17-20)21(30)11-10-19-7-4-3-5-8-19/h3-5,7-8,12-14,16,18,20H,6,9-11,15,17H2,1-2H3/t20-/m1/s1
InChIKeyOBTPVUJERFULCR-HXUWFJFHSA-N
XLogP4.12
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95810928
3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95838883
2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95811002
(4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95810882
2-[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]-3-(2-propan-2-ylimidazol-1-yl)pyrazine
CID 95819483
1-[(3S)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95818890
[(3R)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95810867
1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95810979
2-(2-methylimidazol-1-yl)-3-[1-(3-phenylpropyl)piperidin-3-yl]pyrazine
CID 110250098
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one
CID 95838472
1-[3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110255191

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 95810931) is 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one is CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is OBTPVUJERFULCR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29N5O/c1-18(2)23-27-14-16-29(23)24-22(25-12-13-26-24)20-9-6-15-28(17-20)21(30)11-10-19-7-4-3-5-8-19/h3-5,7-8,12-14,16,18,20H,6,9-11,15,17H2,1-2H3/t20-/m1/s1.
What are the key properties of 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 403.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95810931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).