1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid

C17H23NO3 — CID 82224047

IUPAC1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid
SMILESCC(C)c1ccc(C(=O)CN2CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c1-12(2)13-6-8-14(9-7-13)16(19)11-18-10-4-3-5-15(18)17(20)21/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyUAVGQNMJOODDHN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid

1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid (PubChem CID 82224047) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid
PubChem CID82224047
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid
SMILESCC(C)c1ccc(C(=O)CN2CCCCC2C(=O)O)cc1
InChIInChI=1S/C17H23NO3/c1-12(2)13-6-8-14(9-7-13)16(19)11-18-10-4-3-5-15(18)17(20)21/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,20,21)
InChIKeyUAVGQNMJOODDHN-UHFFFAOYSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methylphenyl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 16770156
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 65319733
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 62889837
1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680985
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
CID 110366829
1-phenacylpiperidine-2-carboxamide
CID 60681003
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 22878862
1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680989
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
1-(3-oxo-3-phenylpropyl)piperidine-2-carboxylic acid
CID 22225856
1-(3-phenylbutyl)piperidine-2-carboxylic acid
CID 65054037

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid (CID 82224047) is 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid is CC(C)c1ccc(C(=O)CN2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is UAVGQNMJOODDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12(2)13-6-8-14(9-7-13)16(19)11-18-10-4-3-5-15(18)17(20)21/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid?
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 82224047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).