ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate

C14H20N2O3 — CID 113371227

IUPACethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncccc2OC)C1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(17)11-6-5-9-16(10-11)13-12(18-2)7-4-8-15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyLKBXSPJQFWLQEK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.87
Rot. Bonds4

About ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate

ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate (PubChem CID 113371227) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
PubChem CID113371227
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ncccc2OC)C1
InChIInChI=1S/C14H20N2O3/c1-3-19-14(17)11-6-5-9-16(10-11)13-12(18-2)7-4-8-15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3
InChIKeyLKBXSPJQFWLQEK-UHFFFAOYSA-N
XLogP1.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
CID 172880737
ethyl (3S)-1-(8-methoxyisoquinolin-4-yl)piperidine-3-carboxylate
CID 169214498
ethyl 1-(5-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-3-carboxylate
CID 19137273
ethyl (3S)-1-furo[3,2-c]pyridin-4-ylpiperidine-3-carboxylate
CID 99636617
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
CID 82537653
ethyl (3S)-1-(6-pyrrolidin-1-yl-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)piperidine-3-carboxylate
CID 51904879
ethyl 1-[5-amino-6-(5-bromoquinolin-8-yl)oxypyrimidin-4-yl]piperidine-3-carboxylate
CID 19142301
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55998880
ethyl 1-phthalazin-1-ylpiperidine-3-carboxylate
CID 60631772

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate (CID 113371227) is ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ncccc2OC)C1.
What is the InChIKey of ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate?
The InChIKey is LKBXSPJQFWLQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-14(17)11-6-5-9-16(10-11)13-12(18-2)7-4-8-15-13/h4,7-8,11H,3,5-6,9-10H2,1-2H3.
What are the key properties of ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate?
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate is sourced from PubChem (CID 113371227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).