1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid

C14H18N2O4 — CID 107070379

IUPAC1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)c1cccnc1N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-9-5-4-8-16(11(9)13(17)18)12-10(14(19)20-2)6-3-7-15-12/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,17,18)
InChIKeyBABZOWKEVBDUPW-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.56
Rot. Bonds3

About 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid

1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107070379) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107070379
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid
SMILESCOC(=O)c1cccnc1N1CCCC(C)C1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-9-5-4-8-16(11(9)13(17)18)12-10(14(19)20-2)6-3-7-15-12/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,17,18)
InChIKeyBABZOWKEVBDUPW-UHFFFAOYSA-N
XLogP1.56
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 62000482
1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742638
2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386
1-isoquinolin-1-yl-3-methylpiperidine-2-carboxylic acid
CID 107070279
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118263628
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-3-carboxylic acid
CID 63135852
methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate
CID 124672500
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690786
methyl 2-[(2S,3S,6S)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]pyridine-3-carboxylate
CID 133110638
methyl 2-(5-bromo-4,4-difluoroazepan-1-yl)pyridine-3-carboxylate
CID 175582365

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid (CID 107070379) is 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid is COC(=O)c1cccnc1N1CCCC(C)C1C(=O)O.
What is the InChIKey of 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is BABZOWKEVBDUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-5-4-8-16(11(9)13(17)18)12-10(14(19)20-2)6-3-7-15-12/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid?
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107070379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).