2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid

C17H22N2O5 — CID 146135967

IUPAC2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid
SMILESCOC(C)(C(=O)O)C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H22N2O5/c1-17(24-2,16(22)23)15(21)19-10-6-7-12(11-19)14(20)18-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyKBDTZKYSXDVKOV-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.35
Rot. Bonds5

About 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid

2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid (PubChem CID 146135967) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid
PubChem CID146135967
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid
SMILESCOC(C)(C(=O)O)C(=O)N1CCCC(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C17H22N2O5/c1-17(24-2,16(22)23)15(21)19-10-6-7-12(11-19)14(20)18-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,20)(H,22,23)
InChIKeyKBDTZKYSXDVKOV-UHFFFAOYSA-N
XLogP1.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
(3S)-1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 94857559
tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 51255258
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
propan-2-yl 4-[[1-(phenylcarbamoyl)piperidine-3-carbonyl]amino]benzoate
CID 24503608
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid (CID 146135967) is 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid is COC(C)(C(=O)O)C(=O)N1CCCC(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid?
The InChIKey is KBDTZKYSXDVKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-17(24-2,16(22)23)15(21)19-10-6-7-12(11-19)14(20)18-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3,(H,18,20)(H,22,23).
What are the key properties of 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid?
2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid has a molecular weight of 334.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-3-oxo-3-[3-(phenylcarbamoyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 146135967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).