(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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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).