4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide

C18H20ClN3O — CID 6465286

IUPAC4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O/c19-16-8-6-15(7-9-16)14-21-10-12-22(13-11-21)18(23)20-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKeyMAFJHZOPBVAUEU-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.69
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide

4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 6465286) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID6465286
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN3O/c19-16-8-6-15(7-9-16)14-21-10-12-22(13-11-21)18(23)20-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKeyMAFJHZOPBVAUEU-UHFFFAOYSA-N
XLogP3.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide (CID 6465286) is 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is MAFJHZOPBVAUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-8-6-15(7-9-16)14-21-10-12-22(13-11-21)18(23)20-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 6465286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).