2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid

C18H23NO4 — CID 91839356

IUPAC2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C18H23NO4/c1-18(17(22)23)12-5-6-13-19(18)16(21)11-7-10-15(20)14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3,(H,22,23)
InChIKeyQLVZYYONKWSXGO-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.90
Rot. Bonds6

About 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid

2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid (PubChem CID 91839356) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
PubChem CID91839356
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)CCCC(=O)c1ccccc1
InChIInChI=1S/C18H23NO4/c1-18(17(22)23)12-5-6-13-19(18)16(21)11-7-10-15(20)14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3,(H,22,23)
InChIKeyQLVZYYONKWSXGO-UHFFFAOYSA-N
XLogP2.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
1-[2-(2-chlorophenyl)acetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595397
1-(2-anilinoacetyl)-2-methylpiperidine-2-carboxylic acid
CID 104597298
2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 115270475
1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115270474
1-[2-(2-chlorophenyl)sulfanylacetyl]-2-methylpiperidine-2-carboxylic acid
CID 104595208
1-(1,3-dihydroisoindole-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104598178
2-methyl-1-(3-phenylprop-2-ynoyl)piperidine-2-carboxylic acid
CID 104595377
2-methyl-1-[3-(propan-2-ylamino)propanoyl]piperidine-2-carboxylic acid
CID 113430915
1-[3-(2,2-dimethylpropanoylamino)propanoyl]-2-methylpiperidine-2-carboxylic acid
CID 104594955
1-(3-amino-2-phenylpropanoyl)-2-methylpiperidine-2-carboxylic acid
CID 104597324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid (CID 91839356) is 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)CCCC(=O)c1ccccc1.
What is the InChIKey of 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid?
The InChIKey is QLVZYYONKWSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-18(17(22)23)12-5-6-13-19(18)16(21)11-7-10-15(20)14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3,(H,22,23).
What are the key properties of 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid?
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid has a molecular weight of 317.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 91839356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).