methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate

C12H15N3O3 — CID 104626640

IUPACmethyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cncnc1
InChIInChI=1S/C12H15N3O3/c1-18-12(17)10-4-2-3-5-15(10)11(16)9-6-13-8-14-7-9/h6-8,10H,2-5H2,1H3/t10-/m1/s1
InChIKeyHGPYKMLLHNJQAM-SNVBAGLBSA-N
MW249.27 g/mol
LogP0.64
Rot. Bonds2

About methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate (PubChem CID 104626640) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
PubChem CID104626640
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cncnc1
InChIInChI=1S/C12H15N3O3/c1-18-12(17)10-4-2-3-5-15(10)11(16)9-6-13-8-14-7-9/h6-8,10H,2-5H2,1H3/t10-/m1/s1
InChIKeyHGPYKMLLHNJQAM-SNVBAGLBSA-N
XLogP0.64
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-(3-methylimidazole-4-carbonyl)piperidine-2-carboxylate
CID 103511735
1-(pyrimidine-5-carbonyl)pyrrolidine-2-carbothioamide
CID 102921862
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate (CID 104626640) is methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cncnc1.
What is the InChIKey of methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is HGPYKMLLHNJQAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-12(17)10-4-2-3-5-15(10)11(16)9-6-13-8-14-7-9/h6-8,10H,2-5H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 104626640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).