3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide

C17H24N2O2 — CID 108942407

IUPAC3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-13(2)14-8-4-5-9-15(14)18-16(20)12-17(21)19-10-6-3-7-11-19/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyCHYRPWDQCRYOAI-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.15
Rot. Bonds4

About 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide

3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 108942407) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
PubChem CID108942407
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CC(=O)N1CCCCC1
InChIInChI=1S/C17H24N2O2/c1-13(2)14-8-4-5-9-15(14)18-16(20)12-17(21)19-10-6-3-7-11-19/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyCHYRPWDQCRYOAI-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
3-(4-benzylpiperazin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide
CID 108949326
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
2-[(2R)-2-methylpiperidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655206
2-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 18078477
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide (CID 108942407) is 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CC(=O)N1CCCCC1.
What is the InChIKey of 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is CHYRPWDQCRYOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)14-8-4-5-9-15(14)18-16(20)12-17(21)19-10-6-3-7-11-19/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,18,20).
What are the key properties of 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide?
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 288.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 108942407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).