1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid

C15H18N2O4 — CID 62230640

IUPAC1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)CN2CC(C(=O)O)CCC2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-10-2-5-12(6-3-10)16-13(18)9-17-8-11(15(20)21)4-7-14(17)19/h2-3,5-6,11H,4,7-9H2,1H3,(H,16,18)(H,20,21)
InChIKeyKICZPDUSSIDCOJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.26
Rot. Bonds4

About 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid

1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 62230640) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID62230640
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)CN2CC(C(=O)O)CCC2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-10-2-5-12(6-3-10)16-13(18)9-17-8-11(15(20)21)4-7-14(17)19/h2-3,5-6,11H,4,7-9H2,1H3,(H,16,18)(H,20,21)
InChIKeyKICZPDUSSIDCOJ-UHFFFAOYSA-N
XLogP1.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168
6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-3-carboxylic acid
CID 55049782
2-methyl-1-[2-(4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 79371911
1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043
1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62216740
2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)-N-(4-methylphenyl)acetamide
CID 145131523
2-[3-(difluoromethyl)azetidin-1-yl]-N-(4-methylphenyl)acetamide
CID 171998342
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylphenyl)acetamide
CID 2666301
6-methyl-1-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]piperidine-3-carboxylic acid
CID 122114326
2-(3,5-dimethylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 63874471
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid (CID 62230640) is 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid is Cc1ccc(NC(=O)CN2CC(C(=O)O)CCC2=O)cc1.
What is the InChIKey of 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is KICZPDUSSIDCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-2-5-12(6-3-10)16-13(18)9-17-8-11(15(20)21)4-7-14(17)19/h2-3,5-6,11H,4,7-9H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62230640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).