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

C13H18N4O4 — CID 122103045

IUPAC1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cnc(NC(=O)N2CC(C)CC(C(=O)O)C2)nc1
InChIInChI=1S/C13H18N4O4/c1-8-3-9(11(18)19)7-17(6-8)13(20)16-12-14-4-10(21-2)5-15-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)(H,14,15,16,20)
InChIKeyGVVHXYINXSTSEP-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.06
Rot. Bonds3

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

1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122103045) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122103045
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cnc(NC(=O)N2CC(C)CC(C(=O)O)C2)nc1
InChIInChI=1S/C13H18N4O4/c1-8-3-9(11(18)19)7-17(6-8)13(20)16-12-14-4-10(21-2)5-15-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)(H,14,15,16,20)
InChIKeyGVVHXYINXSTSEP-UHFFFAOYSA-N
XLogP1.06
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.06
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]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122103045) is 1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is COc1cnc(NC(=O)N2CC(C)CC(C(=O)O)C2)nc1.
What is the InChIKey of 1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is GVVHXYINXSTSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-8-3-9(11(18)19)7-17(6-8)13(20)16-12-14-4-10(21-2)5-15-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,19)(H,14,15,16,20).
What are the key properties of 1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(5-methoxypyrimidin-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 1.06, 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]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122103045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).