(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one

C20H22N2O — CID 717624

IUPAC(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O/c23-20(12-11-18-7-3-1-4-8-18)22-15-13-21(14-16-22)17-19-9-5-2-6-10-19/h1-12H,13-17H2/b12-11+
InChIKeyGWHWSKGIRYVYDA-VAWYXSNFSA-N
MW306.41 g/mol
LogP3.04
Rot. Bonds4

About (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one

(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one (PubChem CID 717624) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
PubChem CID717624
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N2O/c23-20(12-11-18-7-3-1-4-8-18)22-15-13-21(14-16-22)17-19-9-5-2-6-10-19/h1-12H,13-17H2/b12-11+
InChIKeyGWHWSKGIRYVYDA-VAWYXSNFSA-N
XLogP3.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 897622
4-[[4-(3-phenylprop-2-enoyl)piperazin-1-yl]methyl]benzonitrile
CID 75127203
methyl 4-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 26535461
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 2598370
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 137319056
1-(4-benzylpiperazin-1-yl)-3-(3-nitrophenyl)prop-2-en-1-one
CID 1371458
4-[[4-[(E)-3-phenylprop-2-enoyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 37277123
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-chloro-4-fluorophenyl)prop-2-en-1-one
CID 9338593
(E)-1-(4-benzylpiperazin-1-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 141229851
(E)-3-[6-[(E)-3-(4-benzylpiperazin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]-N-hydroxyprop-2-enamide
CID 44552937
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 9338613
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9041528

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one (CID 717624) is (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
The InChIKey is GWHWSKGIRYVYDA-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20(12-11-18-7-3-1-4-8-18)22-15-13-21(14-16-22)17-19-9-5-2-6-10-19/h1-12H,13-17H2/b12-11+.
What are the key properties of (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one has a molecular weight of 306.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 717624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).