1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one

C17H24N2O4 — CID 124947831

IUPAC1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1OC
InChIInChI=1S/C17H24N2O4/c1-13(20)18-9-10-19(17(21)8-11-22-2)15(12-18)14-6-4-5-7-16(14)23-3/h4-7,15H,8-12H2,1-3H3/t15-/m1/s1
InChIKeyCILDCMCRUPQSOM-OAHLLOKOSA-N
MW320.39 g/mol
LogP1.46
Rot. Bonds5

About 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one

1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 124947831) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID124947831
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1OC
InChIInChI=1S/C17H24N2O4/c1-13(20)18-9-10-19(17(21)8-11-22-2)15(12-18)14-6-4-5-7-16(14)23-3/h4-7,15H,8-12H2,1-3H3/t15-/m1/s1
InChIKeyCILDCMCRUPQSOM-OAHLLOKOSA-N
XLogP1.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
1-[4-benzoyl-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110109313
1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 110109426
1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458268
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
1-[(3R)-3-(2-methoxyphenyl)-4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 124976201
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
1-[(3R)-4-[(1-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 124939881
1-[(3S)-3-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethyl)piperazin-1-yl]ethanone
CID 124953559
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110631963

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one (CID 124947831) is 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1OC.
What is the InChIKey of 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is CILDCMCRUPQSOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13(20)18-9-10-19(17(21)8-11-22-2)15(12-18)14-6-4-5-7-16(14)23-3/h4-7,15H,8-12H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one?
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 320.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 124947831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).