1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid

C17H23NO4 — CID 82073354

IUPAC1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCN2CCCC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C17H23NO4/c1-12-10-14(22-2)5-6-15(12)16(19)7-9-18-8-3-4-13(11-18)17(20)21/h5-6,10,13H,3-4,7-9,11H2,1-2H3,(H,20,21)
InChIKeyOQDKSEYOUUOJJS-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.37
Rot. Bonds6

About 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid

1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid (PubChem CID 82073354) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
PubChem CID82073354
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)CCN2CCCC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C17H23NO4/c1-12-10-14(22-2)5-6-15(12)16(19)7-9-18-8-3-4-13(11-18)17(20)21/h5-6,10,13H,3-4,7-9,11H2,1-2H3,(H,20,21)
InChIKeyOQDKSEYOUUOJJS-UHFFFAOYSA-N
XLogP2.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-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-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82064861
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
1-[2-(4-amino-3-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 82162790
(3S)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 124682029
1-[2-[(4-methoxyphenyl)-diphenylmethoxy]ethyl]piperidine-3-carboxylic acid
CID 10252950
1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073151
(3R)-1-[2-[[(3-methoxyphenyl)-(2-methylphenyl)methylidene]amino]oxyethyl]piperidine-3-carboxylic acid
CID 54034569
(3R)-1-[2-[(Z)-2-(3-methoxyphenyl)-2-(2-methylphenyl)ethenoxy]ethyl]piperidine-3-carboxylic acid
CID 70228302
1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 566846
1-[2-[(E)-(4-methoxyphenyl)methylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 155543637
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid (CID 82073354) is 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid is COc1ccc(C(=O)CCN2CCCC(C(=O)O)C2)c(C)c1.
What is the InChIKey of 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid?
The InChIKey is OQDKSEYOUUOJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12-10-14(22-2)5-6-15(12)16(19)7-9-18-8-3-4-13(11-18)17(20)21/h5-6,10,13H,3-4,7-9,11H2,1-2H3,(H,20,21).
What are the key properties of 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid?
1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxy-2-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82073354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).