4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

C26H26FN3O3 — CID 167638373

IUPAC4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CO)c1ccc(CN(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H26FN3O3/c27-22-10-12-23(13-11-22)28-14-16-29(17-15-28)26(33)30(24-4-2-1-3-5-24)18-20-6-8-21(9-7-20)25(32)19-31/h1-13,31H,14-19H2
InChIKeyOUNXMCGSWBILNB-UHFFFAOYSA-N
MW447.51 g/mol
LogP3.95
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 167638373) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID167638373
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CO)c1ccc(CN(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H26FN3O3/c27-22-10-12-23(13-11-22)28-14-16-29(17-15-28)26(33)30(24-4-2-1-3-5-24)18-20-6-8-21(9-7-20)25(32)19-31/h1-13,31H,14-19H2
InChIKeyOUNXMCGSWBILNB-UHFFFAOYSA-N
XLogP3.95
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 167638373) is 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is O=C(CO)c1ccc(CN(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is OUNXMCGSWBILNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c27-22-10-12-23(13-11-22)28-14-16-29(17-15-28)26(33)30(24-4-2-1-3-5-24)18-20-6-8-21(9-7-20)25(32)19-31/h1-13,31H,14-19H2.
What are the key properties of 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 167638373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).