1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate

C12H13N2O4- — CID 3605121

IUPAC1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H14N2O4/c15-10-2-1-9(7-13-10)11(16)14-5-3-8(4-6-14)12(17)18/h1-2,7-8H,3-6H2,(H,13,15)(H,17,18)/p-1
InChIKeyIXNULTKZCDKNME-UHFFFAOYSA-M
MW249.25 g/mol
LogP-1.02
Rot. Bonds2

About 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate

1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate (PubChem CID 3605121) has the molecular formula C12H13N2O4- and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
PubChem CID3605121
Molecular FormulaC12H13N2O4-
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C12H14N2O4/c15-10-2-1-9(7-13-10)11(16)14-5-3-8(4-6-14)12(17)18/h1-2,7-8H,3-6H2,(H,13,15)(H,17,18)/p-1
InChIKeyIXNULTKZCDKNME-UHFFFAOYSA-M
XLogP-1.02
TPSA93.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
N-({1-[(2E)-2-methylpent-2-en-1-yl]piperidin-4-yl}methyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56710306
1-[(6-Oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
CID 3605122
5-[4-(Trifluoromethyl)piperidine-1-carbonyl]-1,2-dihydropyridin-2-one
CID 65537876
1-(2,2-difluoroethyl)-N-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-4-carboxamide
CID 132376878
5-(piperidine-1-carbonyl)-1H-pyridin-2-one
CID 9813114
5-(4-methylidenepiperidine-1-carbonyl)-1H-pyridin-2-one
CID 18715099
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
5-[1-(Cyclopropylcarbonyl)-4-piperidinyl]-2(1h)-pyridinone
CID 118628497
N,N-dimethyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxamide
CID 16864995
5-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 16865014
N-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxamide
CID 16865027

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The IUPAC name of 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate (CID 3605121) is 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate is O=C([O-])C1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
The InChIKey is IXNULTKZCDKNME-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14N2O4/c15-10-2-1-9(7-13-10)11(16)14-5-3-8(4-6-14)12(17)18/h1-2,7-8H,3-6H2,(H,13,15)(H,17,18)/p-1.
What are the key properties of 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate?
1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate has a molecular weight of 249.25 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 3605121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).