1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one

C20H28N2O3 — CID 166101289

IUPAC1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one
SMILESCC(=O)c1cccc(N2CCN(C(=O)CCCCC(C)C)CC2=O)c1
InChIInChI=1S/C20H28N2O3/c1-15(2)7-4-5-10-19(24)21-11-12-22(20(25)14-21)18-9-6-8-17(13-18)16(3)23/h6,8-9,13,15H,4-5,7,10-12,14H2,1-3H3
InChIKeyGNSZLNLHBBZLCJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.28
Rot. Bonds7

About 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one

1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one (PubChem CID 166101289) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one
PubChem CID166101289
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one
SMILESCC(=O)c1cccc(N2CCN(C(=O)CCCCC(C)C)CC2=O)c1
InChIInChI=1S/C20H28N2O3/c1-15(2)7-4-5-10-19(24)21-11-12-22(20(25)14-21)18-9-6-8-17(13-18)16(3)23/h6,8-9,13,15H,4-5,7,10-12,14H2,1-3H3
InChIKeyGNSZLNLHBBZLCJ-UHFFFAOYSA-N
XLogP3.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one
CID 168735073
1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
CID 96578207
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
CID 118765217
4-pentanoyl-1-phenyl-1,4-diazepan-2-one
CID 110873832
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420
1-(6-methylheptanoyl)piperidin-3-one
CID 115277157
4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
CID 91178638
2-methylpropyl 4-(3-cyanophenyl)-3-oxopiperazine-1-carboxylate
CID 67084985
(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
CID 70714332
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one?
The IUPAC name of 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one (CID 166101289) is 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one.
What is the SMILES notation for 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one?
The canonical SMILES for 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one is CC(=O)c1cccc(N2CCN(C(=O)CCCCC(C)C)CC2=O)c1.
What is the InChIKey of 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one?
The InChIKey is GNSZLNLHBBZLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(2)7-4-5-10-19(24)21-11-12-22(20(25)14-21)18-9-6-8-17(13-18)16(3)23/h6,8-9,13,15H,4-5,7,10-12,14H2,1-3H3.
What are the key properties of 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one?
1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one has a molecular weight of 344.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one is sourced from PubChem (CID 166101289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).