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

C24H31N3O — CID 6224194

IUPACN-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c1-21(24(28)25(2)20-23-12-7-4-8-13-23)27-18-16-26(17-19-27)15-9-14-22-10-5-3-6-11-22/h3-14,21H,15-20H2,1-2H3/b14-9+
InChIKeyANTKIIZVEJYIIR-NTEUORMPSA-N
MW377.53 g/mol
LogP3.36
Rot. Bonds7

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

N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 6224194) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID6224194
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H31N3O/c1-21(24(28)25(2)20-23-12-7-4-8-13-23)27-18-16-26(17-19-27)15-9-14-22-10-5-3-6-11-22/h3-14,21H,15-20H2,1-2H3/b14-9+
InChIKeyANTKIIZVEJYIIR-NTEUORMPSA-N
XLogP3.36
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 6224194) is N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is CC(C(=O)N(C)Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is ANTKIIZVEJYIIR-NTEUORMPSA-N. The full InChI is InChI=1S/C24H31N3O/c1-21(24(28)25(2)20-23-12-7-4-8-13-23)27-18-16-26(17-19-27)15-9-14-22-10-5-3-6-11-22/h3-14,21H,15-20H2,1-2H3/b14-9+.
What are the key properties of N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 377.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 6224194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).