1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid

C15H26N2O4 — CID 90756499

IUPAC1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOC(=O)C1CCN(N2CCCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O4/c1-3-21-13(18)12-5-9-16(10-6-12)17-8-4-7-15(2,11-17)14(19)20/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyWFHIPWCYCIRARV-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.36
Rot. Bonds4

About 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid

1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 90756499) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid
PubChem CID90756499
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCCOC(=O)C1CCN(N2CCCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C15H26N2O4/c1-3-21-13(18)12-5-9-16(10-6-12)17-8-4-7-15(2,11-17)14(19)20/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyWFHIPWCYCIRARV-UHFFFAOYSA-N
XLogP1.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethoxycarbonylpiperidin-1-yl)-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid (CID 90756499) is 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid is CCOC(=O)C1CCN(N2CCCC(C)(C(=O)O)C2)CC1.
What is the InChIKey of 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is WFHIPWCYCIRARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-21-13(18)12-5-9-16(10-6-12)17-8-4-7-15(2,11-17)14(19)20/h12H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid?
1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxycarbonylpiperidin-1-yl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 90756499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).