ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate

C15H23N3O2 — CID 62470917

IUPACethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccnc(NC)c2)C1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)13-5-4-8-18(11-13)10-12-6-7-17-14(9-12)16-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,16,17)
InChIKeyKTAKHXXEDIPCEY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.90
Rot. Bonds5

About ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate

ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate (PubChem CID 62470917) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate
PubChem CID62470917
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccnc(NC)c2)C1
InChIInChI=1S/C15H23N3O2/c1-3-20-15(19)13-5-4-8-18(11-13)10-12-6-7-17-14(9-12)16-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,16,17)
InChIKeyKTAKHXXEDIPCEY-UHFFFAOYSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]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

Related Compounds

ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62471209
1-[[2-(propylamino)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 62471287
ethyl (3R)-1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763085
ethyl 4-[[2-(methylamino)-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 107877716
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
ethyl (3R)-1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 1376817
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
ethyl (3R)-1-(1H-indazol-6-ylmethyl)piperidine-3-carboxylate
CID 124568084
ethyl (3S)-1-[(3-nitrophenyl)methyl]piperidine-3-carboxylate
CID 792370
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
ethyl (3R)-1-[(4-cyanophenyl)methyl]piperidine-3-carboxylate
CID 40800844

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate (CID 62470917) is ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2ccnc(NC)c2)C1.
What is the InChIKey of ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate?
The InChIKey is KTAKHXXEDIPCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-15(19)13-5-4-8-18(11-13)10-12-6-7-17-14(9-12)16-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,16,17).
What are the key properties of ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate?
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate is sourced from PubChem (CID 62470917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).