2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide

C15H20N2O3 — CID 652798

IUPAC2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCNC2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)20-12-7-5-11(6-8-12)17-15(19)13-4-3-9-16-14(13)18/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJTNWBZSIHRNESM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.94
Rot. Bonds4

About 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide

2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 652798) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID652798
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCNC2=O)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)20-12-7-5-11(6-8-12)17-15(19)13-4-3-9-16-14(13)18/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyJTNWBZSIHRNESM-UHFFFAOYSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
Propetamide
CID 68937
Acetamide, N-(4-butoxyphenyl)-
CID 90165
Acetamide, N-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
CID 3033717
(4S)-4,5-diamino-N-(4-phenoxyphenyl)pentanamide
CID 24901637
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610
N-(4-ethoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893606
N-(4-methoxyphenyl)-2-oxo-1-propylpyridine-3-carboxamide
CID 1486129
N-{3-[3-(acetylamino)phenoxy]propyl}cyclobutanecarboxamide
CID 2810838
N-(4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2988836
N-(2-ethoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2991696

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 652798) is 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide is CC(C)Oc1ccc(NC(=O)C2CCCNC2=O)cc1.
What is the InChIKey of 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is JTNWBZSIHRNESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)20-12-7-5-11(6-8-12)17-15(19)13-4-3-9-16-14(13)18/h5-8,10,13H,3-4,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 652798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).