6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid

C12H15N3O5 — CID 118917506

IUPAC6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid
SMILESCOC(=O)N1CCC(Oc2cc(C(=O)O)ncn2)CC1
InChIInChI=1S/C12H15N3O5/c1-19-12(18)15-4-2-8(3-5-15)20-10-6-9(11(16)17)13-7-14-10/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyWVBTVPRSHKQCJB-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.78
Rot. Bonds3

About 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid

6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid (PubChem CID 118917506) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid
PubChem CID118917506
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid
SMILESCOC(=O)N1CCC(Oc2cc(C(=O)O)ncn2)CC1
InChIInChI=1S/C12H15N3O5/c1-19-12(18)15-4-2-8(3-5-15)20-10-6-9(11(16)17)13-7-14-10/h6-8H,2-5H2,1H3,(H,16,17)
InChIKeyWVBTVPRSHKQCJB-UHFFFAOYSA-N
XLogP0.78
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid?
The IUPAC name of 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid (CID 118917506) is 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid is COC(=O)N1CCC(Oc2cc(C(=O)O)ncn2)CC1.
What is the InChIKey of 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid?
The InChIKey is WVBTVPRSHKQCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-19-12(18)15-4-2-8(3-5-15)20-10-6-9(11(16)17)13-7-14-10/h6-8H,2-5H2,1H3,(H,16,17).
What are the key properties of 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid?
6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxycarbonylpiperidin-4-yl)oxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 118917506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).