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

C22H26ClN3O — CID 1342233

IUPACN-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O/c23-20-8-10-21(11-9-20)24-22(27)12-14-26-17-15-25(16-18-26)13-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2,(H,24,27)/b7-4+
InChIKeyCVTVQCMNNGHLKS-QPJJXVBHSA-N
MW383.92 g/mol
LogP4.00
Rot. Bonds7

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

N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 1342233) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID1342233
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC NameN-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O/c23-20-8-10-21(11-9-20)24-22(27)12-14-26-17-15-25(16-18-26)13-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2,(H,24,27)/b7-4+
InChIKeyCVTVQCMNNGHLKS-QPJJXVBHSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 1342233) is N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is O=C(CCN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is CVTVQCMNNGHLKS-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H26ClN3O/c23-20-8-10-21(11-9-20)24-22(27)12-14-26-17-15-25(16-18-26)13-4-7-19-5-2-1-3-6-19/h1-11H,12-18H2,(H,24,27)/b7-4+.
What are the key properties of N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 383.92 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 1342233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).