1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid

C12H16N4O3 — CID 122089896

IUPAC1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1nccc(NC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H16N4O3/c1-8-13-5-4-10(14-8)15-12(19)16-6-2-3-9(7-16)11(17)18/h4-5,9H,2-3,6-7H2,1H3,(H,17,18)(H,13,14,15,19)
InChIKeyNXUFZNAZFQYTOY-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.11
Rot. Bonds2

About 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid

1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122089896) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122089896
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1nccc(NC(=O)N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C12H16N4O3/c1-8-13-5-4-10(14-8)15-12(19)16-6-2-3-9(7-16)11(17)18/h4-5,9H,2-3,6-7H2,1H3,(H,17,18)(H,13,14,15,19)
InChIKeyNXUFZNAZFQYTOY-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122092513
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 127931930
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-N-(2-methylpyrimidin-4-yl)piperidine-1-carboxamide
CID 138028277
1-[[5-(2-methylfuran-3-yl)-1,2-oxazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122091880
1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087078
1-[(4-cyclopropyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 61480503
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
1-[[5-(tert-butylsulfamoyl)-2-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090461
1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090928
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318320

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid (CID 122089896) is 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid is Cc1nccc(NC(=O)N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is NXUFZNAZFQYTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-13-5-4-10(14-8)15-12(19)16-6-2-3-9(7-16)11(17)18/h4-5,9H,2-3,6-7H2,1H3,(H,17,18)(H,13,14,15,19).
What are the key properties of 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid?
1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122089896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).