2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid

C14H17NO3 — CID 84746485

IUPAC2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
SMILESCc1ccc(C(C(=O)O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)13(14(17)18)15-8-6-12(16)7-9-15/h2-5,13H,6-9H2,1H3,(H,17,18)
InChIKeyIICOLCXKWYPQKF-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.79
Rot. Bonds3

About 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid

2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid (PubChem CID 84746485) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
PubChem CID84746485
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
SMILESCc1ccc(C(C(=O)O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)13(14(17)18)15-8-6-12(16)7-9-15/h2-5,13H,6-9H2,1H3,(H,17,18)
InChIKeyIICOLCXKWYPQKF-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 84751205
2-(4-chlorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 82345122
(2S)-2-(4-fluorophenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 25418490
2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid
CID 84751142
2-[3-methyl-4-(2-methylpropyl)piperazin-1-yl]-2-(4-methylphenyl)acetic acid
CID 83978333
(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylacetic acid
CID 40787042
ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid
CID 135312522
2-[3-ethyl-4-(2-methylpropyl)piperazin-1-yl]-2-(4-methylphenyl)acetic acid
CID 83978336
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid (CID 84746485) is 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid is Cc1ccc(C(C(=O)O)N2CCC(=O)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
The InChIKey is IICOLCXKWYPQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-2-4-11(5-3-10)13(14(17)18)15-8-6-12(16)7-9-15/h2-5,13H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid has a molecular weight of 247.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid is sourced from PubChem (CID 84746485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).