N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

C20H22ClN3O — CID 1069720

IUPACN-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O/c21-18-9-4-10-19(16-18)22-20(25)24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,22,25)/b8-5+
InChIKeyIRJPVHSCLVFFMC-VMPITWQZSA-N
MW355.87 g/mol
LogP4.20
Rot. Bonds4

About N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 1069720) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID1069720
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O/c21-18-9-4-10-19(16-18)22-20(25)24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,22,25)/b8-5+
InChIKeyIRJPVHSCLVFFMC-VMPITWQZSA-N
XLogP4.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 1069720) is N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is IRJPVHSCLVFFMC-VMPITWQZSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-18-9-4-10-19(16-18)22-20(25)24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2,(H,22,25)/b8-5+.
What are the key properties of N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 1069720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).