ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate

C15H20N2O3 — CID 21255125

IUPACethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cccnc1C
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)13-8-4-5-10-17(13)14(18)12-7-6-9-16-11(12)2/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyLSODSKMWSWFYJL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.95
Rot. Bonds3

About ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate

ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 21255125) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID21255125
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cccnc1C
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)13-8-4-5-10-17(13)14(18)12-7-6-9-16-11(12)2/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyLSODSKMWSWFYJL-UHFFFAOYSA-N
XLogP1.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80997011
[2-(bromomethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 80658457
ethyl 1-(2-bromo-3-methylbenzoyl)pyrrolidine-2-carboxylate
CID 103913410
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79487941
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 60724197
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280081
ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 124574664
ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 43648357

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate (CID 21255125) is ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1cccnc1C.
What is the InChIKey of ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is LSODSKMWSWFYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-15(19)13-8-4-5-10-17(13)14(18)12-7-6-9-16-11(12)2/h6-7,9,13H,3-5,8,10H2,1-2H3.
What are the key properties of ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate?
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 21255125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).