2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid

C17H23NO3 — CID 84751205

IUPAC2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
SMILESCC(C)(C)c1ccc(C(C(=O)O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,3)13-6-4-12(5-7-13)15(16(20)21)18-10-8-14(19)9-11-18/h4-7,15H,8-11H2,1-3H3,(H,20,21)
InChIKeyAAZKYFAFXJURDS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.77
Rot. Bonds3

About 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid

2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid (PubChem CID 84751205) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
PubChem CID84751205
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
SMILESCC(C)(C)c1ccc(C(C(=O)O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C17H23NO3/c1-17(2,3)13-6-4-12(5-7-13)15(16(20)21)18-10-8-14(19)9-11-18/h4-7,15H,8-11H2,1-3H3,(H,20,21)
InChIKeyAAZKYFAFXJURDS-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 84746485
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
methyl 2-(4-tert-butylphenyl)-2-piperidin-1-ylacetate
CID 102294238
(2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 7009980
2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide
CID 83978608
2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid
CID 84751142
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
magnesium;2-(4-tert-butylphenyl)propanedioic acid;hydride
CID 174967969
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
2-(4-hydroxy-4-methylpiperidin-1-yl)-2-phenylacetic acid
CID 67505976
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
The IUPAC name of 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid (CID 84751205) is 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid is CC(C)(C)c1ccc(C(C(=O)O)N2CCC(=O)CC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
The InChIKey is AAZKYFAFXJURDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(2,3)13-6-4-12(5-7-13)15(16(20)21)18-10-8-14(19)9-11-18/h4-7,15H,8-11H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid?
2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid has a molecular weight of 289.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid is sourced from PubChem (CID 84751205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).