N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide

C39H42N2O3 — CID 18794697

IUPACN-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)C(O)c1ccccc1)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O
InChIInChI=1S/C39H42N2O3/c42-37-32(22-25-41-23-20-29(21-24-41)28-10-4-1-5-11-28)16-17-33-26-34(18-19-35(33)37)39(44)40-27-36(30-12-6-2-7-13-30)38(43)31-14-8-3-9-15-31/h1-15,18-19,26,29,32,36,38,43H,16-17,20-25,27H2,(H,40,44)
InChIKeyOSHHWEHMCMWBIK-UHFFFAOYSA-N
MW586.78 g/mol
LogP6.95
Rot. Bonds10

About N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide

N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide (PubChem CID 18794697) has the molecular formula C39H42N2O3 and a molecular weight of 586.78 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
PubChem CID18794697
Molecular FormulaC39H42N2O3
Molecular Weight586.78 g/mol
Exact Mass586.32
IUPAC NameN-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide
SMILESO=C(NCC(c1ccccc1)C(O)c1ccccc1)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O
InChIInChI=1S/C39H42N2O3/c42-37-32(22-25-41-23-20-29(21-24-41)28-10-4-1-5-11-28)16-17-33-26-34(18-19-35(33)37)39(44)40-27-36(30-12-6-2-7-13-30)38(43)31-14-8-3-9-15-31/h1-15,18-19,26,29,32,36,38,43H,16-17,20-25,27H2,(H,40,44)
InChIKeyOSHHWEHMCMWBIK-UHFFFAOYSA-N
XLogP6.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide 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-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide (CID 18794697) is N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide is O=C(NCC(c1ccccc1)C(O)c1ccccc1)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O.
What is the InChIKey of N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
The InChIKey is OSHHWEHMCMWBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42N2O3/c42-37-32(22-25-41-23-20-29(21-24-41)28-10-4-1-5-11-28)16-17-33-26-34(18-19-35(33)37)39(44)40-27-36(30-12-6-2-7-13-30)38(43)31-14-8-3-9-15-31/h1-15,18-19,26,29,32,36,38,43H,16-17,20-25,27H2,(H,40,44).
What are the key properties of N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide?
N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide has a molecular weight of 586.78 g/mol, XLogP of 6.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-diphenylpropyl)-5-oxo-6-[2-(4-phenylpiperidin-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxamide is sourced from PubChem (CID 18794697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).