1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

C19H23N3O2 — CID 124955238

IUPAC1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CN(Cc2cccnc2)CCN1C(C)=O
InChIInChI=1S/C19H23N3O2/c1-15(23)22-11-10-21(13-16-6-5-9-20-12-16)14-18(22)17-7-3-4-8-19(17)24-2/h3-9,12,18H,10-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyFIHZBEKREAAJGP-SFHVURJKSA-N
MW325.41 g/mol
LogP2.50
Rot. Bonds4

About 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 124955238) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID124955238
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CN(Cc2cccnc2)CCN1C(C)=O
InChIInChI=1S/C19H23N3O2/c1-15(23)22-11-10-21(13-16-6-5-9-20-12-16)14-18(22)17-7-3-4-8-19(17)24-2/h3-9,12,18H,10-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyFIHZBEKREAAJGP-SFHVURJKSA-N
XLogP2.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124977259
1-[2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 110098246
1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 110109685
1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 124948692
1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 124948906
1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 132772361
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
1-[(2S)-2-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 124955965
2-[(3S)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 124991590
1-[(3S)-3-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethanone
CID 124953559
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (CID 124955238) is 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is COc1ccccc1[C@@H]1CN(Cc2cccnc2)CCN1C(C)=O.
What is the InChIKey of 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is FIHZBEKREAAJGP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(23)22-11-10-21(13-16-6-5-9-20-12-16)14-18(22)17-7-3-4-8-19(17)24-2/h3-9,12,18H,10-11,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 124955238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).