2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid

C14H17NO4 — CID 82133438

IUPAC2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
SMILESCOc1ccc(C2CCN(C(=O)C(=O)O)CC2)cc1
InChIInChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)11-6-8-15(9-7-11)13(16)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyRVUVDWCIDPQGTG-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.49
Rot. Bonds2

About 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid

2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid (PubChem CID 82133438) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
PubChem CID82133438
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
SMILESCOc1ccc(C2CCN(C(=O)C(=O)O)CC2)cc1
InChIInChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)11-6-8-15(9-7-11)13(16)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyRVUVDWCIDPQGTG-UHFFFAOYSA-N
XLogP1.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
(2R)-2-amino-1-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 119322388
2-[4-(4-chlorophenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82134062
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 110480304
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71166547
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124687784
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
(2S)-2-amino-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 100645710

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid (CID 82133438) is 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid is COc1ccc(C2CCN(C(=O)C(=O)O)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid?
The InChIKey is RVUVDWCIDPQGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-12-4-2-10(3-5-12)11-6-8-15(9-7-11)13(16)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid?
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid is sourced from PubChem (CID 82133438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).