4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid

C18H23NO5 — CID 56889702

IUPAC4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ccccc1OC1(C(=O)O)CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H23NO5/c1-13-5-2-3-6-14(13)24-18(17(21)22)8-10-19(11-9-18)16(20)15-7-4-12-23-15/h2-3,5-6,15H,4,7-12H2,1H3,(H,21,22)
InChIKeyRGBXSPDQFFSKGL-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.00
Rot. Bonds4

About 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid

4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 56889702) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID56889702
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ccccc1OC1(C(=O)O)CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H23NO5/c1-13-5-2-3-6-14(13)24-18(17(21)22)8-10-19(11-9-18)16(20)15-7-4-12-23-15/h2-3,5-6,15H,4,7-12H2,1H3,(H,21,22)
InChIKeyRGBXSPDQFFSKGL-UHFFFAOYSA-N
XLogP2.00
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-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-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 56885496
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 70748832
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 56901351
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid (CID 56889702) is 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid is Cc1ccccc1OC1(C(=O)O)CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is RGBXSPDQFFSKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-13-5-2-3-6-14(13)24-18(17(21)22)8-10-19(11-9-18)16(20)15-7-4-12-23-15/h2-3,5-6,15H,4,7-12H2,1H3,(H,21,22).
What are the key properties of 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid?
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56889702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).