4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid

C15H19NO4 — CID 82052295

IUPAC4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1C(=O)CN1CCCCC1
InChIInChI=1S/C15H19NO4/c1-20-14-6-5-11(15(18)19)9-12(14)13(17)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyZZGHQVHXHNVZFP-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.06
Rot. Bonds5

About 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid

4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid (PubChem CID 82052295) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid
PubChem CID82052295
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1C(=O)CN1CCCCC1
InChIInChI=1S/C15H19NO4/c1-20-14-6-5-11(15(18)19)9-12(14)13(17)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19)
InChIKeyZZGHQVHXHNVZFP-UHFFFAOYSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053961
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
2-methoxy-5-[2-(4-methylpiperidin-1-yl)acetyl]benzoic acid
CID 82052341
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
CID 82053751
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
3-(3-chloropropanoyl)-4-methoxybenzoic acid
CID 82052284
2-[4-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-1-(3,4-dimethoxyphenyl)ethanone
CID 110830029
2-(aziridin-1-yl)-1-(2-methoxy-5-propan-2-ylphenyl)ethanone
CID 94685963
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 82053056
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid?
The IUPAC name of 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid (CID 82052295) is 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid?
The canonical SMILES for 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid is COc1ccc(C(=O)O)cc1C(=O)CN1CCCCC1.
What is the InChIKey of 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid?
The InChIKey is ZZGHQVHXHNVZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-14-6-5-11(15(18)19)9-12(14)13(17)10-16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,19).
What are the key properties of 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid?
4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid is sourced from PubChem (CID 82052295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).