ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate

C15H23N3O2 — CID 86804866

IUPACethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1N1CCCC(N(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-4-20-15(19)13-10-16-8-7-14(13)18-9-5-6-12(11-18)17(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyGMTCSLKLXIOUCN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.79
Rot. Bonds4

About ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate

ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 86804866) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate
PubChem CID86804866
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnccc1N1CCCC(N(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-4-20-15(19)13-10-16-8-7-14(13)18-9-5-6-12(11-18)17(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3
InChIKeyGMTCSLKLXIOUCN-UHFFFAOYSA-N
XLogP1.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-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 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate (CID 86804866) is ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cnccc1N1CCCC(N(C)C)C1.
What is the InChIKey of ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is GMTCSLKLXIOUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-20-15(19)13-10-16-8-7-14(13)18-9-5-6-12(11-18)17(2)3/h7-8,10,12H,4-6,9,11H2,1-3H3.
What are the key properties of ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate?
ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 86804866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).