N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide

C28H30N2O4 — CID 122196017

IUPACN-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CC(O)COc2ccccc2C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H30N2O4/c31-24(19-30-17-15-23(16-18-30)29-28(33)22-11-5-2-6-12-22)20-34-26-14-8-7-13-25(26)27(32)21-9-3-1-4-10-21/h1-14,23-24,31H,15-20H2,(H,29,33)
InChIKeyLRUQDGQDQUKJEI-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.55
Rot. Bonds9

About N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide

N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide (PubChem CID 122196017) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide
PubChem CID122196017
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC NameN-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CC(O)COc2ccccc2C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H30N2O4/c31-24(19-30-17-15-23(16-18-30)29-28(33)22-11-5-2-6-12-22)20-34-26-14-8-7-13-25(26)27(32)21-9-3-1-4-10-21/h1-14,23-24,31H,15-20H2,(H,29,33)
InChIKeyLRUQDGQDQUKJEI-UHFFFAOYSA-N
XLogP3.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-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

Related Compounds

CID 4932
CID 4932
CID 184819
CID 184819
CID 71249
CID 71249
CID 2856734
CID 2856734
CID 184820
CID 184820
CID 1928169
CID 1928169
CID 16307093
CID 16307093
CID 11963503
CID 11963503
CID 25218485
CID 25218485
CID 25218489
CID 25218489
CID 25218493
CID 25218493
CID 44968179
CID 44968179

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide (CID 122196017) is N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CC(O)COc2ccccc2C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide?
The InChIKey is LRUQDGQDQUKJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c31-24(19-30-17-15-23(16-18-30)29-28(33)22-11-5-2-6-12-22)20-34-26-14-8-7-13-25(26)27(32)21-9-3-1-4-10-21/h1-14,23-24,31H,15-20H2,(H,29,33).
What are the key properties of N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide?
N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide has a molecular weight of 458.56 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-benzoylphenoxy)-2-hydroxypropyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 122196017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).