1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide

C12H17N3O2 — CID 172786939

IUPAC1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCn1cccc(N2CCCC(C(N)=O)C2)c1=O
InChIInChI=1S/C12H17N3O2/c1-14-6-3-5-10(12(14)17)15-7-2-4-9(8-15)11(13)16/h3,5-6,9H,2,4,7-8H2,1H3,(H2,13,16)
InChIKeyPAIZBXZLPQCZCY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.09
Rot. Bonds2

About 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide

1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 172786939) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide
PubChem CID172786939
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide
SMILESCn1cccc(N2CCCC(C(N)=O)C2)c1=O
InChIInChI=1S/C12H17N3O2/c1-14-6-3-5-10(12(14)17)15-7-2-4-9(8-15)11(13)16/h3,5-6,9H,2,4,7-8H2,1H3,(H2,13,16)
InChIKeyPAIZBXZLPQCZCY-UHFFFAOYSA-N
XLogP0.09
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide (CID 172786939) is 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide is Cn1cccc(N2CCCC(C(N)=O)C2)c1=O.
What is the InChIKey of 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is PAIZBXZLPQCZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-6-3-5-10(12(14)17)15-7-2-4-9(8-15)11(13)16/h3,5-6,9H,2,4,7-8H2,1H3,(H2,13,16).
What are the key properties of 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide?
1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-2-oxo-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 172786939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).