[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate

C15H19N3O4 — CID 56807362

IUPAC[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CCCCC2C(N)=O)cn1
InChIInChI=1S/C15H19N3O4/c1-10-5-6-11(8-17-10)15(21)22-9-13(19)18-7-3-2-4-12(18)14(16)20/h5-6,8,12H,2-4,7,9H2,1H3,(H2,16,20)
InChIKeyMZKSFLOYTANVRC-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.41
Rot. Bonds4

About [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate

[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate (PubChem CID 56807362) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate
PubChem CID56807362
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CCCCC2C(N)=O)cn1
InChIInChI=1S/C15H19N3O4/c1-10-5-6-11(8-17-10)15(21)22-9-13(19)18-7-3-2-4-12(18)14(16)20/h5-6,8,12H,2-4,7,9H2,1H3,(H2,16,20)
InChIKeyMZKSFLOYTANVRC-UHFFFAOYSA-N
XLogP0.41
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-benzoylbenzoate
CID 8808423
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-phenoxybenzoate
CID 9009258
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 9197434
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8847481
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203308
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 9203023
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492469
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 9197839
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203413
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 8809019
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647471
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 9081155

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate (CID 56807362) is [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)OCC(=O)N2CCCCC2C(N)=O)cn1.
What is the InChIKey of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is MZKSFLOYTANVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10-5-6-11(8-17-10)15(21)22-9-13(19)18-7-3-2-4-12(18)14(16)20/h5-6,8,12H,2-4,7,9H2,1H3,(H2,16,20).
What are the key properties of [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate?
[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 305.33 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 56807362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).