(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one

C23H26N2O — CID 97040917

IUPAC(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C2CC2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C23H26N2O/c26-23(14-11-19-7-3-1-4-8-19)25-16-15-24(21-12-13-21)18-22(25)17-20-9-5-2-6-10-20/h1-11,14,21-22H,12-13,15-18H2/b14-11+/t22-/m1/s1
InChIKeyKLYMXSGFHKTCHL-YDYPUGOESA-N
MW346.47 g/mol
LogP3.62
Rot. Bonds5

About (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 97040917) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID97040917
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C2CC2)C[C@H]1Cc1ccccc1
InChIInChI=1S/C23H26N2O/c26-23(14-11-19-7-3-1-4-8-19)25-16-15-24(21-12-13-21)18-22(25)17-20-9-5-2-6-10-20/h1-11,14,21-22H,12-13,15-18H2/b14-11+/t22-/m1/s1
InChIKeyKLYMXSGFHKTCHL-YDYPUGOESA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.62
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-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 90567156
1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 171156673
(2S)-2-benzyl-4-cyclopropyl-N-phenylpiperazine-1-carboxamide
CID 97040924
1-[2-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 90567212
2-benzyl-4-cyclopropyl-N-(2-phenylethyl)piperazine-1-carboxamide
CID 71801351
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 90567211
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 90567225
2-[4-(2-benzyl-4-cyclopropylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 90567247
N-[4-(2-benzyl-4-cyclopropylpiperazine-1-carbonyl)phenyl]acetamide
CID 90567032
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90567166
(2-benzyl-4-cyclopropylpiperazin-1-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 90567197
(E)-1-[2-(hydroxymethyl)azepan-1-yl]-3-phenylprop-2-en-1-one
CID 116635920

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one (CID 97040917) is (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCN(C2CC2)C[C@H]1Cc1ccccc1.
What is the InChIKey of (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is KLYMXSGFHKTCHL-YDYPUGOESA-N. The full InChI is InChI=1S/C23H26N2O/c26-23(14-11-19-7-3-1-4-8-19)25-16-15-24(21-12-13-21)18-22(25)17-20-9-5-2-6-10-20/h1-11,14,21-22H,12-13,15-18H2/b14-11+/t22-/m1/s1.
What are the key properties of (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 346.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R)-2-benzyl-4-cyclopropylpiperazin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 97040917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).