4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid

C18H25NO5 — CID 141206480

IUPAC4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(OCCCC2CCN(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C18H25NO5/c1-13-12-15(17(20)23-2)5-6-16(13)24-11-3-4-14-7-9-19(10-8-14)18(21)22/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,21,22)
InChIKeyCXHFMKPTMJOZKK-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.33
Rot. Bonds6

About 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid

4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid (PubChem CID 141206480) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid
PubChem CID141206480
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(OCCCC2CCN(C(=O)O)CC2)c(C)c1
InChIInChI=1S/C18H25NO5/c1-13-12-15(17(20)23-2)5-6-16(13)24-11-3-4-14-7-9-19(10-8-14)18(21)22/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,21,22)
InChIKeyCXHFMKPTMJOZKK-UHFFFAOYSA-N
XLogP3.33
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic 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

4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
4-[3-(dimethylamino)propoxy]-3-methylbenzoic acid
CID 62702605
3-methyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzoic acid
CID 104651426
4-(3-pyridin-4-yloxypropyl)piperidine-1-carboxylic acid
CID 154254683
4-[[3-(2-methoxyethoxy)-4-methylphenyl]methyl]piperidine-1-carboxylic acid
CID 66999625
carbon dioxide;methyl 4-[3-(2-methoxy-4-methylphenoxy)propoxy]-3-methylbenzoate
CID 123232367
4-(2-fluoroethoxy)-3-methylbenzoic acid
CID 107673859
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
4-[2-(4-chloro-2-cyanophenoxy)ethyl]piperidine-1-carboxylic acid
CID 123553778
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
4-[2-(3,4-dimethoxybenzoyl)prop-2-enyl]piperidine-1-carboxylic acid
CID 22596748

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid (CID 141206480) is 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid is COC(=O)c1ccc(OCCCC2CCN(C(=O)O)CC2)c(C)c1.
What is the InChIKey of 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid?
The InChIKey is CXHFMKPTMJOZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-13-12-15(17(20)23-2)5-6-16(13)24-11-3-4-14-7-9-19(10-8-14)18(21)22/h5-6,12,14H,3-4,7-11H2,1-2H3,(H,21,22).
What are the key properties of 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid?
4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141206480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).