2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid

C12H16N4O3 — CID 104597815

IUPAC2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Nc1ncccn1
InChIInChI=1S/C12H16N4O3/c1-12(9(17)18)5-2-3-8-16(12)11(19)15-10-13-6-4-7-14-10/h4,6-7H,2-3,5,8H2,1H3,(H,17,18)(H,13,14,15,19)
InChIKeyYNNPQFONXWPHSG-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.34
Rot. Bonds2

About 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid

2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 104597815) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID104597815
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCCN1C(=O)Nc1ncccn1
InChIInChI=1S/C12H16N4O3/c1-12(9(17)18)5-2-3-8-16(12)11(19)15-10-13-6-4-7-14-10/h4,6-7H,2-3,5,8H2,1H3,(H,17,18)(H,13,14,15,19)
InChIKeyYNNPQFONXWPHSG-UHFFFAOYSA-N
XLogP1.34
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid (CID 104597815) is 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid is CC1(C(=O)O)CCCCN1C(=O)Nc1ncccn1.
What is the InChIKey of 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is YNNPQFONXWPHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-12(9(17)18)5-2-3-8-16(12)11(19)15-10-13-6-4-7-14-10/h4,6-7H,2-3,5,8H2,1H3,(H,17,18)(H,13,14,15,19).
What are the key properties of 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid?
2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104597815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).