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

C16H22N2O3 — CID 125013501

IUPAC1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(19)17-9-10-18(16(20)8-11-21-2)15(12-17)14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyWFSDQOYIEMZGKF-OAHLLOKOSA-N
MW290.36 g/mol
LogP1.45
Rot. Bonds4

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

1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 125013501) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
PubChem CID125013501
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-13(19)17-9-10-18(16(20)8-11-21-2)15(12-17)14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyWFSDQOYIEMZGKF-OAHLLOKOSA-N
XLogP1.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 110109426
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124964959
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
1-[(3S)-4-(1-methylpyrrole-2-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124956509
2-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 124940322
1-[(3S)-4-acetyl-3-phenylpiperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 125002392
1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 124951880
1-[(3S)-4-(2-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124986438
1-[4-(1-methylpyrazole-3-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 110097808
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120749124

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one (CID 125013501) is 1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN(C(C)=O)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is WFSDQOYIEMZGKF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(19)17-9-10-18(16(20)8-11-21-2)15(12-17)14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one?
1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 290.36 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 125013501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).