1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid

C17H23NO5 — CID 122117682

IUPAC1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(OCC(=O)N2CC(C)CC(C(=O)O)C2)cc1C
InChIInChI=1S/C17H23NO5/c1-11-6-13(17(20)21)9-18(8-11)16(19)10-23-14-4-5-15(22-3)12(2)7-14/h4-5,7,11,13H,6,8-10H2,1-3H3,(H,20,21)
InChIKeyLDMADFPVJQGUAC-UHFFFAOYSA-N
MW321.37 g/mol
LogP1.95
Rot. Bonds5

About 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid

1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117682) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122117682
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(OCC(=O)N2CC(C)CC(C(=O)O)C2)cc1C
InChIInChI=1S/C17H23NO5/c1-11-6-13(17(20)21)9-18(8-11)16(19)10-23-14-4-5-15(22-3)12(2)7-14/h4-5,7,11,13H,6,8-10H2,1-3H3,(H,20,21)
InChIKeyLDMADFPVJQGUAC-UHFFFAOYSA-N
XLogP1.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-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

1-[2-(3,4-dimethylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119479
1-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119325
1-[2-(3-bromophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119572
1-[2-(2,4-dichlorophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119590
(3S)-1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 81120930
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
1-[2-(2-ethoxyphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119451
1-[2-(2,5-dichlorophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119009
2-(2,4-dimethylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 17217256
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid (CID 122117682) is 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid is COc1ccc(OCC(=O)N2CC(C)CC(C(=O)O)C2)cc1C.
What is the InChIKey of 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is LDMADFPVJQGUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-11-6-13(17(20)21)9-18(8-11)16(19)10-23-14-4-5-15(22-3)12(2)7-14/h4-5,7,11,13H,6,8-10H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 321.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-3-methylphenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).