ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate

C15H20N2O3 — CID 79035754

IUPACethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cncc(C)c1
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)13-6-4-5-7-17(13)14(18)12-8-11(2)9-16-10-12/h8-10,13H,3-7H2,1-2H3
InChIKeyKBUFLXPSFULAOF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.95
Rot. Bonds3

About ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate

ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 79035754) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID79035754
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cncc(C)c1
InChIInChI=1S/C15H20N2O3/c1-3-20-15(19)13-6-4-5-7-17(13)14(18)12-8-11(2)9-16-10-12/h8-10,13H,3-7H2,1-2H3
InChIKeyKBUFLXPSFULAOF-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 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 115900329
(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 66263120
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
ethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627941
ethyl 1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79487941
ethyl 1-(5-sulfamoylthiophene-3-carbonyl)piperidine-2-carboxylate
CID 122159396
ethyl (2S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidine-2-carboxylate
CID 52812175
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
ethyl 1-(5-iodothiophene-3-carbonyl)pyrrolidine-2-carboxylate
CID 79693514

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate (CID 79035754) is ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1cncc(C)c1.
What is the InChIKey of ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is KBUFLXPSFULAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-15(19)13-6-4-5-7-17(13)14(18)12-8-11(2)9-16-10-12/h8-10,13H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate?
ethyl 1-(5-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-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 79035754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).