N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

C26H27N3O3 — CID 25163462

IUPACN-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1
InChIInChI=1S/C26H27N3O3/c30-24-14-8-7-13-23(24)28-15-17-29(18-16-28)26(32)22(19-20-9-3-1-4-10-20)27-25(31)21-11-5-2-6-12-21/h1-14,22,30H,15-19H2,(H,27,31)
InChIKeyONHRJSSTOMNVFQ-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.08
Rot. Bonds6

About N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 25163462) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID25163462
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1
InChIInChI=1S/C26H27N3O3/c30-24-14-8-7-13-23(24)28-15-17-29(18-16-28)26(32)22(19-20-9-3-1-4-10-20)27-25(31)21-11-5-2-6-12-21/h1-14,22,30H,15-19H2,(H,27,31)
InChIKeyONHRJSSTOMNVFQ-UHFFFAOYSA-N
XLogP3.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide (CID 25163462) is N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1.
What is the InChIKey of N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is ONHRJSSTOMNVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-24-14-8-7-13-23(24)28-15-17-29(18-16-28)26(32)22(19-20-9-3-1-4-10-20)27-25(31)21-11-5-2-6-12-21/h1-14,22,30H,15-19H2,(H,27,31).
What are the key properties of N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 25163462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).