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

C12H16N4O3 — CID 107071231

IUPAC3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)Nc2ncccn2)C1C(=O)O
InChIInChI=1S/C12H16N4O3/c1-8-4-2-7-16(9(8)10(17)18)12(19)15-11-13-5-3-6-14-11/h3,5-6,8-9H,2,4,7H2,1H3,(H,17,18)(H,13,14,15,19)
InChIKeyLVHGFAAMKZGQIK-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.19
Rot. Bonds2

About 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid

3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 107071231) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID107071231
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)Nc2ncccn2)C1C(=O)O
InChIInChI=1S/C12H16N4O3/c1-8-4-2-7-16(9(8)10(17)18)12(19)15-11-13-5-3-6-14-11/h3,5-6,8-9H,2,4,7H2,1H3,(H,17,18)(H,13,14,15,19)
InChIKeyLVHGFAAMKZGQIK-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071248
2-(pyrimidin-2-ylcarbamoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102889846
1-[(4-cyanophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107070005
1-[(4-bromo-2-chlorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071299
3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071187
3-methyl-1-[(2-methylcyclopropyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071599
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071555
1-[(2-fluoro-4-methylphenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071284
1-[(3-bromo-4-fluorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071863
1-[(5-bromo-2-fluorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071344
3-methyl-1-(3-pyrazol-1-ylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071854
3-methyl-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107589330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid (CID 107071231) is 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid is CC1CCCN(C(=O)Nc2ncccn2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is LVHGFAAMKZGQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-4-2-7-16(9(8)10(17)18)12(19)15-11-13-5-3-6-14-11/h3,5-6,8-9H,2,4,7H2,1H3,(H,17,18)(H,13,14,15,19).
What are the key properties of 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid?
3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107071231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).