1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid

C14H18N2O4 — CID 106742638

IUPAC1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC(=O)c1cccnc1N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H18N2O4/c1-9-8-10(13(17)18)5-7-16(9)12-11(14(19)20-2)4-3-6-15-12/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)
InChIKeyPCJGISRRONTHGZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.56
Rot. Bonds3

About 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid

1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742638) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742638
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
SMILESCOC(=O)c1cccnc1N1CCC(C(=O)O)CC1C
InChIInChI=1S/C14H18N2O4/c1-9-8-10(13(17)18)5-7-16(9)12-11(14(19)20-2)4-3-6-15-12/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18)
InChIKeyPCJGISRRONTHGZ-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

Analyze 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid (CID 106742638) is 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid is COC(=O)c1cccnc1N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is PCJGISRRONTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-8-10(13(17)18)5-7-16(9)12-11(14(19)20-2)4-3-6-15-12/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid?
1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-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)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).