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

C22H27N3O — CID 2355293

IUPACN-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C22H27N3O/c26-22(23-18-21-10-5-2-6-11-21)19-25-16-14-24(15-17-25)13-7-12-20-8-3-1-4-9-20/h1-12H,13-19H2,(H,23,26)/b12-7+
InChIKeyXVNWVTPZYFCFJV-KPKJPENVSA-N
MW349.48 g/mol
LogP2.63
Rot. Bonds7

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

N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (PubChem CID 2355293) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
PubChem CID2355293
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC NameN-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccccc1
InChIInChI=1S/C22H27N3O/c26-22(23-18-21-10-5-2-6-11-21)19-25-16-14-24(15-17-25)13-7-12-20-8-3-1-4-9-20/h1-12H,13-19H2,(H,23,26)/b12-7+
InChIKeyXVNWVTPZYFCFJV-KPKJPENVSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide (CID 2355293) is N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C/C=C/c2ccccc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
The InChIKey is XVNWVTPZYFCFJV-KPKJPENVSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(23-18-21-10-5-2-6-11-21)19-25-16-14-24(15-17-25)13-7-12-20-8-3-1-4-9-20/h1-12H,13-19H2,(H,23,26)/b12-7+.
What are the key properties of N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 2355293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).