N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

C22H27N3O — CID 772522

IUPACN-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H27N3O/c26-22(23-21-11-5-2-6-12-21)13-15-25-18-16-24(17-19-25)14-7-10-20-8-3-1-4-9-20/h1-12H,13-19H2,(H,23,26)/b10-7+
InChIKeyZDXSNDXZLWQXLG-JXMROGBWSA-N
MW349.48 g/mol
LogP3.35
Rot. Bonds7

About N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide

N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 772522) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID772522
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1
InChIInChI=1S/C22H27N3O/c26-22(23-21-11-5-2-6-12-21)13-15-25-18-16-24(17-19-25)14-7-10-20-8-3-1-4-9-20/h1-12H,13-19H2,(H,23,26)/b10-7+
InChIKeyZDXSNDXZLWQXLG-JXMROGBWSA-N
XLogP3.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 772522) is N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is O=C(CCN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is ZDXSNDXZLWQXLG-JXMROGBWSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(23-21-11-5-2-6-12-21)13-15-25-18-16-24(17-19-25)14-7-10-20-8-3-1-4-9-20/h1-12H,13-19H2,(H,23,26)/b10-7+.
What are the key properties of N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 349.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 772522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).