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

C20H22ClN3O — CID 1312155

IUPACN-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H,22,25)/b9-6+
InChIKeyMSZUEQKXBWJWSN-RMKNXTFCSA-N
MW355.87 g/mol
LogP4.20
Rot. Bonds4

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

N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (PubChem CID 1312155) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
PubChem CID1312155
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H,22,25)/b9-6+
InChIKeyMSZUEQKXBWJWSN-RMKNXTFCSA-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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Related Compounds

CID 91692
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CID 11154555
CID 11154555
CID 12741858
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CID 594820
CID 594820
CID 4150009
CID 4150009
CID 25096873
CID 25096873
CID 2805176
CID 2805176
CID 234245
CID 234245
CID 3136155
CID 3136155
CID 4064342
CID 4064342
CID 295010
CID 295010
CID 730667
CID 730667

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide (CID 1312155) is N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
The InChIKey is MSZUEQKXBWJWSN-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-18-10-4-5-11-19(18)22-20(25)24-15-13-23(14-16-24)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2,(H,22,25)/b9-6+.
What are the key properties of N-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide?
N-(2-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-(2-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide is sourced from PubChem (CID 1312155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).