2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid

C15H19NO4 — CID 103932666

IUPAC2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
SMILESCOC1CCCN(C(=O)Cc2ccccc2C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-20-12-6-4-8-16(10-12)14(17)9-11-5-2-3-7-13(11)15(18)19/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,18,19)
InChIKeyQRWPXFZLAMUDIX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.56
Rot. Bonds4

About 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid

2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid (PubChem CID 103932666) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
PubChem CID103932666
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
SMILESCOC1CCCN(C(=O)Cc2ccccc2C(=O)O)C1
InChIInChI=1S/C15H19NO4/c1-20-12-6-4-8-16(10-12)14(17)9-11-5-2-3-7-13(11)15(18)19/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,18,19)
InChIKeyQRWPXFZLAMUDIX-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 103531291
2-[2-(3-methoxycarbonylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601679
(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957626
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 114678070
2-[2-(3-tert-butylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601774
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034
methyl 2-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]benzoate
CID 97254802
(3R)-4-(2-methoxyphenyl)-1-[(3R)-3-methoxypiperidin-1-yl]-3-methylbutan-1-one
CID 95615452
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
CID 102962941
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
1-(4-methoxyazepan-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 136522526

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid (CID 103932666) is 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid is COC1CCCN(C(=O)Cc2ccccc2C(=O)O)C1.
What is the InChIKey of 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid?
The InChIKey is QRWPXFZLAMUDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-12-6-4-8-16(10-12)14(17)9-11-5-2-3-7-13(11)15(18)19/h2-3,5,7,12H,4,6,8-10H2,1H3,(H,18,19).
What are the key properties of 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid?
2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 103932666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).