1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid

C12H16N4O4 — CID 122092502

IUPAC1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cnc(NC(=O)N2CCCC(C(=O)O)C2)nc1
InChIInChI=1S/C12H16N4O4/c1-20-9-5-13-11(14-6-9)15-12(19)16-4-2-3-8(7-16)10(17)18/h5-6,8H,2-4,7H2,1H3,(H,17,18)(H,13,14,15,19)
InChIKeyJKTDVALVDCOWRU-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.81
Rot. Bonds3

About 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122092502) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122092502
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1cnc(NC(=O)N2CCCC(C(=O)O)C2)nc1
InChIInChI=1S/C12H16N4O4/c1-20-9-5-13-11(14-6-9)15-12(19)16-4-2-3-8(7-16)10(17)18/h5-6,8H,2-4,7H2,1H3,(H,17,18)(H,13,14,15,19)
InChIKeyJKTDVALVDCOWRU-UHFFFAOYSA-N
XLogP0.81
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122092502) is 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid is COc1cnc(NC(=O)N2CCCC(C(=O)O)C2)nc1.
What is the InChIKey of 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is JKTDVALVDCOWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-20-9-5-13-11(14-6-9)15-12(19)16-4-2-3-8(7-16)10(17)18/h5-6,8H,2-4,7H2,1H3,(H,17,18)(H,13,14,15,19).
What are the key properties of 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxypyrimidin-2-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122092502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).