2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one

C18H26N2O — CID 110711063

IUPAC2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(CC/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c1-16(2)18(21)20-14-12-19(13-15-20)11-7-6-10-17-8-4-3-5-9-17/h3-6,8-10,16H,7,11-15H2,1-2H3/b10-6+
InChIKeyKUHVRWCHZWBYDD-UXBLZVDNSA-N
MW286.42 g/mol
LogP2.89
Rot. Bonds5

About 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one (PubChem CID 110711063) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one
PubChem CID110711063
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(CC/C=C/c2ccccc2)CC1
InChIInChI=1S/C18H26N2O/c1-16(2)18(21)20-14-12-19(13-15-20)11-7-6-10-17-8-4-3-5-9-17/h3-6,8-10,16H,7,11-15H2,1-2H3/b10-6+
InChIKeyKUHVRWCHZWBYDD-UXBLZVDNSA-N
XLogP2.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

tert-butyl 4-(4-phenylbut-3-enyl)piperazine-1-carboxylate
CID 77144706
4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide
CID 110747126
2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400
2,2-diphenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2838766
2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
CID 6305993
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
2-[(2R)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl]isoindole-1,3-dione
CID 2301572
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
N-methyl-1-[(E)-4-phenylbut-3-enyl]piperidin-4-amine
CID 66569637
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-(2-ethoxyethoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 60546067
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one (CID 110711063) is 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(CC/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one?
The InChIKey is KUHVRWCHZWBYDD-UXBLZVDNSA-N. The full InChI is InChI=1S/C18H26N2O/c1-16(2)18(21)20-14-12-19(13-15-20)11-7-6-10-17-8-4-3-5-9-17/h3-6,8-10,16H,7,11-15H2,1-2H3/b10-6+.
What are the key properties of 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(E)-4-phenylbut-3-enyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110711063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).