2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

C24H29N5O2 — CID 95811002

IUPAC2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC[C@@H](c3nccnc3-n3ccnc3C(C)C)C2)cc1
InChIInChI=1S/C24H29N5O2/c1-17(2)23-27-12-14-29(23)24-22(25-10-11-26-24)19-5-4-13-28(16-19)21(30)15-18-6-8-20(31-3)9-7-18/h6-12,14,17,19H,4-5,13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyGGEQUQJVGIGNFB-LJQANCHMSA-N
MW419.53 g/mol
LogP3.74
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95811002) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95811002
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC[C@@H](c3nccnc3-n3ccnc3C(C)C)C2)cc1
InChIInChI=1S/C24H29N5O2/c1-17(2)23-27-12-14-29(23)24-22(25-10-11-26-24)19-5-4-13-28(16-19)21(30)15-18-6-8-20(31-3)9-7-18/h6-12,14,17,19H,4-5,13,15-16H2,1-3H3/t19-/m1/s1
InChIKeyGGEQUQJVGIGNFB-LJQANCHMSA-N
XLogP3.74
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95810931
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
(4-fluorophenyl)-[(3S)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95810882
2-(4-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124965599
1-[(3R)-3-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95810979
2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95838299
1-[3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110248860
2-(4-methoxyphenyl)-1-[(3S)-3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837849
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119593429
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
1-[(3S)-3-[3-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95810928
2-(4-fluorophenyl)-1-[3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249679

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95811002) is 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC[C@@H](c3nccnc3-n3ccnc3C(C)C)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is GGEQUQJVGIGNFB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17(2)23-27-12-14-29(23)24-22(25-10-11-26-24)19-5-4-13-28(16-19)21(30)15-18-6-8-20(31-3)9-7-18/h6-12,14,17,19H,4-5,13,15-16H2,1-3H3/t19-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 419.53 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[(3R)-3-[3-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95811002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).