5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one

C16H17N3O2 — CID 166311536

IUPAC5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one
SMILESO=C(c1cccnc1)N1CCCCC1c1ccc(=O)[nH]c1
InChIInChI=1S/C16H17N3O2/c20-15-7-6-12(11-18-15)14-5-1-2-9-19(14)16(21)13-4-3-8-17-10-13/h3-4,6-8,10-11,14H,1-2,5,9H2,(H,18,20)
InChIKeySAGGIQCPBUIMEI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.14
Rot. Bonds2

About 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one

5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one (PubChem CID 166311536) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one
PubChem CID166311536
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one
SMILESO=C(c1cccnc1)N1CCCCC1c1ccc(=O)[nH]c1
InChIInChI=1S/C16H17N3O2/c20-15-7-6-12(11-18-15)14-5-1-2-9-19(14)16(21)13-4-3-8-17-10-13/h3-4,6-8,10-11,14H,1-2,5,9H2,(H,18,20)
InChIKeySAGGIQCPBUIMEI-UHFFFAOYSA-N
XLogP2.14
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-[6-(3-fluorophenyl)-3-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125002811
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
5-[[2-oxo-2-[(2R)-2-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]acetyl]amino]pyridine-3-carboxamide
CID 167033649
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
[2-(1-methylpyrazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225788
2-methyl-6-(2-pyridin-3-ylpiperidine-1-carbonyl)pyridazin-3-one
CID 74249642
2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963138
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124942630
[2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 110225920
[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 97345408

Frequently Asked Questions

What is the IUPAC name of 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one (CID 166311536) is 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one is O=C(c1cccnc1)N1CCCCC1c1ccc(=O)[nH]c1.
What is the InChIKey of 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one?
The InChIKey is SAGGIQCPBUIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-15-7-6-12(11-18-15)14-5-1-2-9-19(14)16(21)13-4-3-8-17-10-13/h3-4,6-8,10-11,14H,1-2,5,9H2,(H,18,20).
What are the key properties of 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one?
5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 166311536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).