4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid

C15H19NO4 — CID 45320509

IUPAC4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
SMILESCc1ccc(C(=O)O)cc1OCC(=O)N1CCCCC1
InChIInChI=1S/C15H19NO4/c1-11-5-6-12(15(18)19)9-13(11)20-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyVTLZGYJTSHKPCZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.08
Rot. Bonds4

About 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid

4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid (PubChem CID 45320509) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
PubChem CID45320509
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
SMILESCc1ccc(C(=O)O)cc1OCC(=O)N1CCCCC1
InChIInChI=1S/C15H19NO4/c1-11-5-6-12(15(18)19)9-13(11)20-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyVTLZGYJTSHKPCZ-UHFFFAOYSA-N
XLogP2.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoic acid
CID 114103502
3-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 107673791
2-(2,5-dimethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026636
4-methyl-3-(3-piperidin-1-ylpropoxy)benzoic acid
CID 82165926
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
1-(1,4-diazepan-1-yl)-2-(2,5-dimethylphenoxy)ethanone;hydrochloride
CID 119417110
3-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-4-methylbenzoic acid
CID 60702563
2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylethanone
CID 61312995
3-[2-(dimethylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60698832
(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide
CID 99828110
2-[4-methyl-2-(methylaminomethyl)phenoxy]-1-piperidin-1-ylethanone
CID 63323495
2-(2-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 60681856

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
The IUPAC name of 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid (CID 45320509) is 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid.
What is the SMILES notation for 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
The canonical SMILES for 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid is Cc1ccc(C(=O)O)cc1OCC(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
The InChIKey is VTLZGYJTSHKPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-5-6-12(15(18)19)9-13(11)20-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid?
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid is sourced from PubChem (CID 45320509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).