methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate

C16H22N2O4 — CID 133391396

IUPACmethyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(C(=O)OC)c(C)n2)C1
InChIInChI=1S/C16H22N2O4/c1-4-22-15(19)12-6-5-9-18(10-12)14-8-7-13(11(2)17-14)16(20)21-3/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyYUSAKLLJMWNCHT-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.96
Rot. Bonds4

About methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate

methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate (PubChem CID 133391396) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
PubChem CID133391396
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc(C(=O)OC)c(C)n2)C1
InChIInChI=1S/C16H22N2O4/c1-4-22-15(19)12-6-5-9-18(10-12)14-8-7-13(11(2)17-14)16(20)21-3/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyYUSAKLLJMWNCHT-UHFFFAOYSA-N
XLogP1.96
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750
methyl 4-amino-2-(3-ethoxycarbonylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 110277637
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
ethyl 1-(5-cyano-2-pyridinyl)piperidine-3-carboxylate
CID 24704715
methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133421229
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate (CID 133391396) is methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate is CCOC(=O)C1CCCN(c2ccc(C(=O)OC)c(C)n2)C1.
What is the InChIKey of methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate?
The InChIKey is YUSAKLLJMWNCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-4-22-15(19)12-6-5-9-18(10-12)14-8-7-13(11(2)17-14)16(20)21-3/h7-8,12H,4-6,9-10H2,1-3H3.
What are the key properties of methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate?
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 133391396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).