1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid

C12H15N3O4 — CID 156541249

IUPAC1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCOC(=O)c1cnc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C12H15N3O4/c1-19-11(18)9-6-13-12(14-7-9)15-4-2-8(3-5-15)10(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyAZBWGNSILBEWRX-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.56
Rot. Bonds3

About 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid

1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 156541249) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID156541249
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCOC(=O)c1cnc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C12H15N3O4/c1-19-11(18)9-6-13-12(14-7-9)15-4-2-8(3-5-15)10(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyAZBWGNSILBEWRX-UHFFFAOYSA-N
XLogP0.56
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid (CID 156541249) is 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid is COC(=O)c1cnc(N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is AZBWGNSILBEWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-11(18)9-6-13-12(14-7-9)15-4-2-8(3-5-15)10(16)17/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 156541249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).