3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid

C12H21NO4 — CID 102967452

IUPAC3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCOC1CCCN(CC2(C(=O)O)CCOC2)C1
InChIInChI=1S/C12H21NO4/c1-16-10-3-2-5-13(7-10)8-12(11(14)15)4-6-17-9-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyZPMVROSURFDQCC-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.59
Rot. Bonds4

About 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid

3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 102967452) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID102967452
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCOC1CCCN(CC2(C(=O)O)CCOC2)C1
InChIInChI=1S/C12H21NO4/c1-16-10-3-2-5-13(7-10)8-12(11(14)15)4-6-17-9-12/h10H,2-9H2,1H3,(H,14,15)
InChIKeyZPMVROSURFDQCC-UHFFFAOYSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-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

3-[(4-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 55056174
1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102967450
3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]oxolane-3-carboxylic acid
CID 81200543
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 79183754
4-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 102962837
3-[(3-methylpyrrolidin-1-yl)methyl]oxane-3-carboxylic acid
CID 63747250
3-[(2-methylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271543
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 102968613
3-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62272327
4-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]morpholine
CID 84592709
[4-(aminomethyl)oxan-4-yl]-(3-methoxypiperidin-1-yl)methanone;hydrochloride
CID 120925164
4-(azocan-1-ylmethyl)oxane-4-carboxylic acid
CID 62392737

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid (CID 102967452) is 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid is COC1CCCN(CC2(C(=O)O)CCOC2)C1.
What is the InChIKey of 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is ZPMVROSURFDQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-16-10-3-2-5-13(7-10)8-12(11(14)15)4-6-17-9-12/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 102967452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).