ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate

C17H26N2O3 — CID 45180720

IUPACethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOC)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C17H26N2O3/c1-3-22-16(20)17(9-12-21-2)8-6-11-19(14-17)13-15-7-4-5-10-18-15/h4-5,7,10H,3,6,8-9,11-14H2,1-2H3
InChIKeyKLOOWNHZEHAOFU-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.26
Rot. Bonds7

About ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate

ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate (PubChem CID 45180720) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
PubChem CID45180720
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nameethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(CCOC)CCCN(Cc2ccccn2)C1
InChIInChI=1S/C17H26N2O3/c1-3-22-16(20)17(9-12-21-2)8-6-11-19(14-17)13-15-7-4-5-10-18-15/h4-5,7,10H,3,6,8-9,11-14H2,1-2H3
InChIKeyKLOOWNHZEHAOFU-UHFFFAOYSA-N
XLogP2.26
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3S)-3-(2-phenylethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 42291340
ethyl (3S)-3-(2-methoxyethyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate
CID 29022675
ethyl 1-[(2,3-difluorophenyl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45183792
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 95853716
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
ethyl 1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45183806
ethyl (3S)-3-(2-phenoxyethyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidine-3-carboxylate
CID 26408612
ethyl 1-[(4,5-dimethylfuran-2-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45208197
1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 110090181
ethyl (3R)-3-(2-methoxyethyl)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 26329692
ethyl (3R)-3-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidine-3-carboxylate
CID 42520187
ethyl (3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 26329598

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate (CID 45180720) is ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate is CCOC(=O)C1(CCOC)CCCN(Cc2ccccn2)C1.
What is the InChIKey of ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate?
The InChIKey is KLOOWNHZEHAOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-22-16(20)17(9-12-21-2)8-6-11-19(14-17)13-15-7-4-5-10-18-15/h4-5,7,10H,3,6,8-9,11-14H2,1-2H3.
What are the key properties of ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate?
ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate is sourced from PubChem (CID 45180720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).