methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate

C13H16N2O4 — CID 78919707

IUPACmethyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)9-4-3-7-15(8-9)12(17)10-5-2-6-14-11(10)16/h2,5-6,9H,3-4,7-8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyXCNIFYBYDMPCLW-VIFPVBQESA-N
MW264.28 g/mol
LogP0.40
Rot. Bonds2

About methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate

methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate (PubChem CID 78919707) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
PubChem CID78919707
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)9-4-3-7-15(8-9)12(17)10-5-2-6-14-11(10)16/h2,5-6,9H,3-4,7-8H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyXCNIFYBYDMPCLW-VIFPVBQESA-N
XLogP0.40
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
methyl (3S)-1-(2-hydroxy-3-methylbenzoyl)piperidine-3-carboxylate
CID 78919388
methyl 1-(2-amino-3-methylbenzoyl)piperidine-3-carboxylate
CID 115532995
methyl (3S)-1-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 103717921
methyl (3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylate
CID 97355286
tert-butyl (3S)-1-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 99641244
tert-butyl (3R)-1-(2-sulfanylidene-1H-pyridine-3-carbonyl)piperidine-3-carboxylate
CID 99641243
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
3-(3-aminopyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 62068733
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate (CID 78919707) is methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is XCNIFYBYDMPCLW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)9-4-3-7-15(8-9)12(17)10-5-2-6-14-11(10)16/h2,5-6,9H,3-4,7-8H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate?
methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 78919707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).