4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one

C22H32N2O3 — CID 168735073

IUPAC4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one
SMILESCC(C)CCCCC(=O)N1CCN(c2cccc(C(=O)C(C)C)c2)C(=O)C1
InChIInChI=1S/C22H32N2O3/c1-16(2)8-5-6-11-20(25)23-12-13-24(21(26)15-23)19-10-7-9-18(14-19)22(27)17(3)4/h7,9-10,14,16-17H,5-6,8,11-13,15H2,1-4H3
InChIKeyVEYFGTPCNFBUHL-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.92
Rot. Bonds8

About 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one

4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one (PubChem CID 168735073) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one.

Molecular Properties

Compound Name4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one
PubChem CID168735073
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one
SMILESCC(C)CCCCC(=O)N1CCN(c2cccc(C(=O)C(C)C)c2)C(=O)C1
InChIInChI=1S/C22H32N2O3/c1-16(2)8-5-6-11-20(25)23-12-13-24(21(26)15-23)19-10-7-9-18(14-19)22(27)17(3)4/h7,9-10,14,16-17H,5-6,8,11-13,15H2,1-4H3
InChIKeyVEYFGTPCNFBUHL-UHFFFAOYSA-N
XLogP3.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.92
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

1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one
CID 166101289
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
6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide
CID 168735068
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-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
2-methylpropyl 4-(3-cyanophenyl)-3-oxopiperazine-1-carboxylate
CID 67084985
5-methyl-1-[4-[4-(2-methylpropanoyl)phenyl]piperazin-1-yl]heptan-1-one
CID 166101181
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one?
The IUPAC name of 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one (CID 168735073) is 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one.
What is the SMILES notation for 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one?
The canonical SMILES for 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one is CC(C)CCCCC(=O)N1CCN(c2cccc(C(=O)C(C)C)c2)C(=O)C1.
What is the InChIKey of 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one?
The InChIKey is VEYFGTPCNFBUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-16(2)8-5-6-11-20(25)23-12-13-24(21(26)15-23)19-10-7-9-18(14-19)22(27)17(3)4/h7,9-10,14,16-17H,5-6,8,11-13,15H2,1-4H3.
What are the key properties of 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one?
4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one has a molecular weight of 372.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one is sourced from PubChem (CID 168735073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).