1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one

C23H28N2O2 — CID 110311046

IUPAC1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)CCCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-19-8-7-12-21(18-19)23(27)25-16-14-24(15-17-25)22(26)13-6-5-11-20-9-3-2-4-10-20/h2-4,7-10,12,18H,5-6,11,13-17H2,1H3
InChIKeyQTFDFTHZQWRWRS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.69
Rot. Bonds6

About 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one

1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one (PubChem CID 110311046) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one
PubChem CID110311046
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one
SMILESCc1cccc(C(=O)N2CCN(C(=O)CCCCc3ccccc3)CC2)c1
InChIInChI=1S/C23H28N2O2/c1-19-8-7-12-21(18-19)23(27)25-16-14-24(15-17-25)22(26)13-6-5-11-20-9-3-2-4-10-20/h2-4,7-10,12,18H,5-6,11,13-17H2,1H3
InChIKeyQTFDFTHZQWRWRS-UHFFFAOYSA-N
XLogP3.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
7-(3-methylphenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155528442
4-(methylamino)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 119710618
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
CID 10827239
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980
1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 55563796
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
3-(furan-2-yl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110311024
4-(2,6-dimethylphenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 108546929
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one?
The IUPAC name of 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one (CID 110311046) is 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one.
What is the SMILES notation for 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one?
The canonical SMILES for 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one is Cc1cccc(C(=O)N2CCN(C(=O)CCCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one?
The InChIKey is QTFDFTHZQWRWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-19-8-7-12-21(18-19)23(27)25-16-14-24(15-17-25)22(26)13-6-5-11-20-9-3-2-4-10-20/h2-4,7-10,12,18H,5-6,11,13-17H2,1H3.
What are the key properties of 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one?
1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one has a molecular weight of 364.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one is sourced from PubChem (CID 110311046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).