methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate

C14H18N2O4 — CID 115538410

IUPACmethyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCCC(C(=O)OC)C2)ccn1
InChIInChI=1S/C14H18N2O4/c1-19-13(17)10-4-3-7-16(9-10)11-5-6-15-12(8-11)14(18)20-2/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyOWGBDWZJPBQAHO-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.26
Rot. Bonds3

About methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate

methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate (PubChem CID 115538410) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
PubChem CID115538410
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N2CCCC(C(=O)OC)C2)ccn1
InChIInChI=1S/C14H18N2O4/c1-19-13(17)10-4-3-7-16(9-10)11-5-6-15-12(8-11)14(18)20-2/h5-6,8,10H,3-4,7,9H2,1-2H3
InChIKeyOWGBDWZJPBQAHO-UHFFFAOYSA-N
XLogP1.26
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
CID 115538469
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
methyl (3R)-1-(2-fluoro-4-pyridinyl)pyrrolidine-3-carboxylate
CID 129497903
methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 66287702
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
methyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 117028088
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
methyl 1-(4-cyanophenyl)piperidine-3-carboxylate
CID 78920280
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
methyl 4-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridine-2-carboxylate
CID 66285504
methyl 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-2-carboxylate
CID 102683433

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate (CID 115538410) is methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate is COC(=O)c1cc(N2CCCC(C(=O)OC)C2)ccn1.
What is the InChIKey of methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate?
The InChIKey is OWGBDWZJPBQAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-13(17)10-4-3-7-16(9-10)11-5-6-15-12(8-11)14(18)20-2/h5-6,8,10H,3-4,7,9H2,1-2H3.
What are the key properties of methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate?
methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxycarbonylpiperidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 115538410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).