3-methoxy-5-(piperidine-1-carbonyl)benzoic acid

C14H17NO4 — CID 58738055

IUPAC3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C14H17NO4/c1-19-12-8-10(7-11(9-12)14(17)18)13(16)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyZQSJTIWXNPLPRP-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.02
Rot. Bonds3

About 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid

3-methoxy-5-(piperidine-1-carbonyl)benzoic acid (PubChem CID 58738055) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
PubChem CID58738055
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name3-methoxy-5-(piperidine-1-carbonyl)benzoic acid
SMILESCOc1cc(C(=O)O)cc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C14H17NO4/c1-19-12-8-10(7-11(9-12)14(17)18)13(16)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyZQSJTIWXNPLPRP-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
CID 70254735
CID 70254735
3-methoxy-5-pyrrolidin-1-ylbenzoic acid
CID 156591947
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 7292437
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
(4-hydroxy-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 13410310
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid?
The IUPAC name of 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid (CID 58738055) is 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid.
What is the SMILES notation for 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid?
The canonical SMILES for 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid is COc1cc(C(=O)O)cc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid?
The InChIKey is ZQSJTIWXNPLPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-12-8-10(7-11(9-12)14(17)18)13(16)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3,(H,17,18).
What are the key properties of 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid?
3-methoxy-5-(piperidine-1-carbonyl)benzoic acid has a molecular weight of 263.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(piperidine-1-carbonyl)benzoic acid is sourced from PubChem (CID 58738055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).