4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid

C19H26N2O4 — CID 146106718

IUPAC4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid
SMILESCNC(=O)CC1CCN(C(=O)CC(C(=O)O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-13-3-5-15(6-4-13)16(19(24)25)12-18(23)21-9-7-14(8-10-21)11-17(22)20-2/h3-6,14,16H,7-12H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyHVIFTIVSFFXXLO-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.93
Rot. Bonds6

About 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid

4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid (PubChem CID 146106718) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid
PubChem CID146106718
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid
SMILESCNC(=O)CC1CCN(C(=O)CC(C(=O)O)c2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-13-3-5-15(6-4-13)16(19(24)25)12-18(23)21-9-7-14(8-10-21)11-17(22)20-2/h3-6,14,16H,7-12H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyHVIFTIVSFFXXLO-UHFFFAOYSA-N
XLogP1.93
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid
CID 139019737
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119644558
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 119546172
2-[1-[2-(furan-3-yl)acetyl]piperidin-4-yl]-N-methylacetamide
CID 138995042
2-(2,5-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid
CID 82138947
2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78805058
2-[1-[3-(4-fluorophenyl)butanoyl]piperidin-4-yl]acetic acid
CID 119178715
N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 110883945
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
CID 52998819
4-[2-(methylamino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 75503757
4-(2-hydroxyethylamino)-2-(4-methylphenyl)-4-oxobutanoic acid
CID 79437298
4-morpholin-4-yl-4-oxo-2-phenylbutanoic acid
CID 82133442

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid?
The IUPAC name of 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid (CID 146106718) is 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid is CNC(=O)CC1CCN(C(=O)CC(C(=O)O)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid?
The InChIKey is HVIFTIVSFFXXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-3-5-15(6-4-13)16(19(24)25)12-18(23)21-9-7-14(8-10-21)11-17(22)20-2/h3-6,14,16H,7-12H2,1-2H3,(H,20,22)(H,24,25).
What are the key properties of 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid?
4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid has a molecular weight of 346.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(methylamino)-2-oxoethyl]piperidin-1-yl]-2-(4-methylphenyl)-4-oxobutanoic acid is sourced from PubChem (CID 146106718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).