1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one

C32H36N2O — CID 67941004

IUPAC1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one
SMILESO=C(CCc1cc2ccc1CCc1ccc(cc1)CC2)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C32H36N2O/c35-32(34-23-21-33(22-24-34)20-4-7-26-5-2-1-3-6-26)19-18-31-25-29-13-12-27-8-10-28(11-9-27)14-16-30(31)17-15-29/h1-11,15,17,25H,12-14,16,18-24H2/b7-4+
InChIKeyRZIHORNISLNRSU-QPJJXVBHSA-N
MW464.65 g/mol
LogP5.36
Rot. Bonds6

About 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one

1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one (PubChem CID 67941004) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one
PubChem CID67941004
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one
SMILESO=C(CCc1cc2ccc1CCc1ccc(cc1)CC2)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C32H36N2O/c35-32(34-23-21-33(22-24-34)20-4-7-26-5-2-1-3-6-26)19-18-31-25-29-13-12-27-8-10-28(11-9-27)14-16-30(31)17-15-29/h1-11,15,17,25H,12-14,16,18-24H2/b7-4+
InChIKeyRZIHORNISLNRSU-QPJJXVBHSA-N
XLogP5.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one with MolForge

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Related Compounds

1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
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-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
3-(2,3-dimethoxyphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 9118704
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
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 55771645
3-(1,3-benzothiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 2104299
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110333615

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one?
The IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one (CID 67941004) is 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one.
What is the SMILES notation for 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one?
The canonical SMILES for 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one is O=C(CCc1cc2ccc1CCc1ccc(cc1)CC2)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one?
The InChIKey is RZIHORNISLNRSU-QPJJXVBHSA-N. The full InChI is InChI=1S/C32H36N2O/c35-32(34-23-21-33(22-24-34)20-4-7-26-5-2-1-3-6-26)19-18-31-25-29-13-12-27-8-10-28(11-9-27)14-16-30(31)17-15-29/h1-11,15,17,25H,12-14,16,18-24H2/b7-4+.
What are the key properties of 1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one?
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one has a molecular weight of 464.65 g/mol, XLogP of 5.36, 6 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]-3-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)propan-1-one is sourced from PubChem (CID 67941004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).