4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

C24H24ClN3O2 — CID 11704494

IUPAC4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C24H24ClN3O2/c25-20-9-11-22(12-10-20)30-23-8-4-5-19(17-23)18-27-13-15-28(16-14-27)24(29)26-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2,(H,26,29)
InChIKeyFERHPCZABHYPHY-UHFFFAOYSA-N
MW421.93 g/mol
LogP5.48
Rot. Bonds5

About 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 11704494) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID11704494
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C24H24ClN3O2/c25-20-9-11-22(12-10-20)30-23-8-4-5-19(17-23)18-27-13-15-28(16-14-27)24(29)26-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2,(H,26,29)
InChIKeyFERHPCZABHYPHY-UHFFFAOYSA-N
XLogP5.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 11704494) is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is FERHPCZABHYPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-20-9-11-22(12-10-20)30-23-8-4-5-19(17-23)18-27-13-15-28(16-14-27)24(29)26-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2,(H,26,29).
What are the key properties of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11704494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).