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

C22H25N3O4 — CID 56765407

IUPACN-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESCC(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)
InChIKeyQWRNRGPFEXDBEZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.17
Rot. Bonds5

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

N-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide (PubChem CID 56765407) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
PubChem CID56765407
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide
SMILESCC(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)
InChIKeyQWRNRGPFEXDBEZ-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide (CID 56765407) is N-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide is CC(O)(CNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
The InChIKey is QWRNRGPFEXDBEZ-UHFFFAOYSA-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).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide?
N-(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-(2-hydroxy-2-phenylpropyl)-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide is sourced from PubChem (CID 56765407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).