1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid

C12H15N3O3 — CID 110836281

IUPAC1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ncncc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H15N3O3/c1-8-10(6-13-7-14-8)11(16)15-4-2-9(3-5-15)12(17)18/h6-7,9H,2-5H2,1H3,(H,17,18)
InChIKeyODLVSWAREXQZDO-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.72
Rot. Bonds2

About 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid

1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid (PubChem CID 110836281) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
PubChem CID110836281
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
SMILESCc1ncncc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C12H15N3O3/c1-8-10(6-13-7-14-8)11(16)15-4-2-9(3-5-15)12(17)18/h6-7,9H,2-5H2,1H3,(H,17,18)
InChIKeyODLVSWAREXQZDO-UHFFFAOYSA-N
XLogP0.72
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 119349556
1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850335
1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836362
(4-methylpyrimidin-5-yl)-[4-[(2S)-1-methylsulfonylpiperidin-2-yl]piperidin-1-yl]methanone
CID 92632719
(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125148639
[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110146823
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
CID 43354172
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone
CID 124988703
[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110110841
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 138009536
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid (CID 110836281) is 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid is Cc1ncncc1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is ODLVSWAREXQZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8-10(6-13-7-14-8)11(16)15-4-2-9(3-5-15)12(17)18/h6-7,9H,2-5H2,1H3,(H,17,18).
What are the key properties of 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid?
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 110836281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).