1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one

C24H38N2O — CID 6140077

IUPAC1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
SMILESCCCCCCCCCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-12-17-24(27)26-21-19-25(20-22-26)18-13-16-23-14-10-9-11-15-23/h9-11,13-16H,2-8,12,17-22H2,1H3/b16-13+
InChIKeySHSBFZYQVNJEOU-DTQAZKPQSA-N
MW370.58 g/mol
LogP5.37
Rot. Bonds12

About 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one

1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one (PubChem CID 6140077) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one.

Molecular Properties

Compound Name1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
PubChem CID6140077
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
SMILESCCCCCCCCCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-12-17-24(27)26-21-19-25(20-22-26)18-13-16-23-14-10-9-11-15-23/h9-11,13-16H,2-8,12,17-22H2,1H3/b16-13+
InChIKeySHSBFZYQVNJEOU-DTQAZKPQSA-N
XLogP5.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide
CID 113123058
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 55771645
3-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 4116088
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 110688701
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]propane-1-sulfonamide
CID 112994586
1-(2-methylphenyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butane-1,4-dione
CID 110414418

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one?
The IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one (CID 6140077) is 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one.
What is the SMILES notation for 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one?
The canonical SMILES for 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one is CCCCCCCCCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one?
The InChIKey is SHSBFZYQVNJEOU-DTQAZKPQSA-N. The full InChI is InChI=1S/C24H38N2O/c1-2-3-4-5-6-7-8-12-17-24(27)26-21-19-25(20-22-26)18-13-16-23-14-10-9-11-15-23/h9-11,13-16H,2-8,12,17-22H2,1H3/b16-13+.
What are the key properties of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one?
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one has a molecular weight of 370.58 g/mol, XLogP of 5.37, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one is sourced from PubChem (CID 6140077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).