N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide

C22H28N2O4 — CID 50980551

IUPACN-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC(O)(c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-27-18-8-9-19(20(16-18)28-2)23-21(25)10-13-24-14-11-22(26,12-15-24)17-6-4-3-5-7-17/h3-9,16,26H,10-15H2,1-2H3,(H,23,25)
InChIKeyPAYKLWTUOARFLL-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.02
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide

N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide (PubChem CID 50980551) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
PubChem CID50980551
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide
SMILESCOc1ccc(NC(=O)CCN2CCC(O)(c3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O4/c1-27-18-8-9-19(20(16-18)28-2)23-21(25)10-13-24-14-11-22(26,12-15-24)17-6-4-3-5-7-17/h3-9,16,26H,10-15H2,1-2H3,(H,23,25)
InChIKeyPAYKLWTUOARFLL-UHFFFAOYSA-N
XLogP3.02
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide 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

N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91839507
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 91830032
1-(2,4-dimethoxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)ethanone
CID 10836668
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 109018366
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 16779280

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide (CID 50980551) is N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide is COc1ccc(NC(=O)CCN2CCC(O)(c3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide?
The InChIKey is PAYKLWTUOARFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-27-18-8-9-19(20(16-18)28-2)23-21(25)10-13-24-14-11-22(26,12-15-24)17-6-4-3-5-7-17/h3-9,16,26H,10-15H2,1-2H3,(H,23,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide?
N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(4-hydroxy-4-phenylpiperidin-1-yl)propanamide is sourced from PubChem (CID 50980551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).