3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C16H18N4O3 — CID 118767734

IUPAC3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCC2)N1CCC(c2ncon2)CC1
InChIInChI=1S/C16H18N4O3/c21-15-12(8-11-2-1-3-13(11)18-15)16(22)20-6-4-10(5-7-20)14-17-9-23-19-14/h8-10H,1-7H2,(H,18,21)
InChIKeyYMKMVUSNWVSWAB-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.27
Rot. Bonds2

About 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 118767734) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID118767734
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC Name3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESO=C(c1cc2c([nH]c1=O)CCC2)N1CCC(c2ncon2)CC1
InChIInChI=1S/C16H18N4O3/c21-15-12(8-11-2-1-3-13(11)18-15)16(22)20-6-4-10(5-7-20)14-17-9-23-19-14/h8-10H,1-7H2,(H,18,21)
InChIKeyYMKMVUSNWVSWAB-UHFFFAOYSA-N
XLogP1.27
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 118767734) is 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is O=C(c1cc2c([nH]c1=O)CCC2)N1CCC(c2ncon2)CC1.
What is the InChIKey of 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is YMKMVUSNWVSWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-15-12(8-11-2-1-3-13(11)18-15)16(22)20-6-4-10(5-7-20)14-17-9-23-19-14/h8-10H,1-7H2,(H,18,21).
What are the key properties of 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 314.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 118767734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).