2-(4-methoxypiperidine-1-carbonyl)benzoic acid

C14H17NO4 — CID 43372663

IUPAC2-(4-methoxypiperidine-1-carbonyl)benzoic acid
SMILESCOC1CCN(C(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H17NO4/c1-19-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyLGMMOTRBDXQRIT-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.64
Rot. Bonds3

About 2-(4-methoxypiperidine-1-carbonyl)benzoic acid

2-(4-methoxypiperidine-1-carbonyl)benzoic acid (PubChem CID 43372663) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-(4-methoxypiperidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(4-methoxypiperidine-1-carbonyl)benzoic acid
PubChem CID43372663
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-(4-methoxypiperidine-1-carbonyl)benzoic acid
SMILESCOC1CCN(C(=O)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H17NO4/c1-19-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)
InChIKeyLGMMOTRBDXQRIT-UHFFFAOYSA-N
XLogP1.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone
CID 171661899
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
[3-fluoro-2-(methylamino)phenyl]-(4-methoxypiperidin-1-yl)methanone
CID 62649265
2-(4-methoxypiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428744
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 103531291
(2-hydroxy-3-nitrophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103746323
[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-(4-methoxypiperidin-1-yl)methanone
CID 94097550
2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]benzoic acid
CID 107214692
2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110882787

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidine-1-carbonyl)benzoic acid?
The IUPAC name of 2-(4-methoxypiperidine-1-carbonyl)benzoic acid (CID 43372663) is 2-(4-methoxypiperidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(4-methoxypiperidine-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(4-methoxypiperidine-1-carbonyl)benzoic acid is COC1CCN(C(=O)c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-(4-methoxypiperidine-1-carbonyl)benzoic acid?
The InChIKey is LGMMOTRBDXQRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-10-6-8-15(9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h2-5,10H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-(4-methoxypiperidine-1-carbonyl)benzoic acid?
2-(4-methoxypiperidine-1-carbonyl)benzoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 43372663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).