N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide

C22H25N3O4 — CID 95368106

IUPACN-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESC[C@](O)(CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccccc1
InChIInChI=1S/C22H25N3O4/c1-22(29,16-8-3-2-4-9-16)15-23-20(27)21(28)24-17-10-7-11-18(14-17)25-13-6-5-12-19(25)26/h2-4,7-11,14,29H,5-6,12-13,15H2,1H3,(H,23,27)(H,24,28)/t22-/m0/s1
InChIKeyQWRNRGPFEXDBEZ-QFIPXVFZSA-N
MW395.46 g/mol
LogP2.17
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide

N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide (PubChem CID 95368106) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
PubChem CID95368106
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESC[C@](O)(CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccccc1
InChIInChI=1S/C22H25N3O4/c1-22(29,16-8-3-2-4-9-16)15-23-20(27)21(28)24-17-10-7-11-18(14-17)25-13-6-5-12-19(25)26/h2-4,7-11,14,29H,5-6,12-13,15H2,1H3,(H,23,27)(H,24,28)/t22-/m0/s1
InChIKeyQWRNRGPFEXDBEZ-QFIPXVFZSA-N
XLogP2.17
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide 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-benzyl-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584460
N'-[3-(2-oxopiperidin-1-yl)phenyl]-N-propyloxamide
CID 30679921
N-[(4-methylphenyl)methyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 18584462
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90605267
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121054613
N-[2-(dimethylamino)ethyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584414
N'-(2-methylsulfanylphenyl)-N-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
CID 121054638
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylpropanamide
CID 120587349
N-(4-methylphenyl)-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679439
N-(2-hydroxy-2-phenylpropyl)-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 121112083
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide (CID 95368106) is N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide is C[C@](O)(CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The InChIKey is QWRNRGPFEXDBEZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-22(29,16-8-3-2-4-9-16)15-23-20(27)21(28)24-17-10-7-11-18(14-17)25-13-6-5-12-19(25)26/h2-4,7-11,14,29H,5-6,12-13,15H2,1H3,(H,23,27)(H,24,28)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide has a molecular weight of 395.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 95368106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).