ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate

C14H20N2O2 — CID 10083359

IUPACethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)13-6-4-8-16(11-13)10-12-5-3-7-15-9-12/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3
InChIKeyGVLBDFVUSANMGP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.86
Rot. Bonds4

About ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate

ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate (PubChem CID 10083359) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
PubChem CID10083359
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Nameethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(17)13-6-4-8-16(11-13)10-12-5-3-7-15-9-12/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3
InChIKeyGVLBDFVUSANMGP-UHFFFAOYSA-N
XLogP1.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate 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 ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate (CID 10083359) is ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2cccnc2)C1.
What is the InChIKey of ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate?
The InChIKey is GVLBDFVUSANMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(17)13-6-4-8-16(11-13)10-12-5-3-7-15-9-12/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3.
What are the key properties of ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate?
ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate has a molecular weight of 248.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pyridin-3-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 10083359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).