3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide

C20H22N2O3 — CID 108942475

IUPAC3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(15-20(24)22-13-7-2-8-14-22)21-17-11-5-6-12-18(17)25-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2,(H,21,23)
InChIKeyJLMGXSPOLLBJHA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.82
Rot. Bonds5

About 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide

3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide (PubChem CID 108942475) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
PubChem CID108942475
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CC(=O)N1CCCCC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(15-20(24)22-13-7-2-8-14-22)21-17-11-5-6-12-18(17)25-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2,(H,21,23)
InChIKeyJLMGXSPOLLBJHA-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
N-(2-phenoxyphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132342
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 2462402
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide
CID 30722426
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide?
The IUPAC name of 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide (CID 108942475) is 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide is O=C(CC(=O)N1CCCCC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide?
The InChIKey is JLMGXSPOLLBJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(15-20(24)22-13-7-2-8-14-22)21-17-11-5-6-12-18(17)25-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2,(H,21,23).
What are the key properties of 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide?
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide has a molecular weight of 338.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108942475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).