3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

C14H18N4O2 — CID 110197476

IUPAC3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCC(=O)N1CCC[C@H](n2c(=O)n(C)c3cccnc32)C1
InChIInChI=1S/C14H18N4O2/c1-10(19)17-8-4-5-11(9-17)18-13-12(6-3-7-15-13)16(2)14(18)20/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyRCIPDNVLEMREBN-NSHDSACASA-N
MW274.32 g/mol
LogP0.92
Rot. Bonds1

About 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 110197476) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID110197476
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCC(=O)N1CCC[C@H](n2c(=O)n(C)c3cccnc32)C1
InChIInChI=1S/C14H18N4O2/c1-10(19)17-8-4-5-11(9-17)18-13-12(6-3-7-15-13)16(2)14(18)20/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyRCIPDNVLEMREBN-NSHDSACASA-N
XLogP0.92
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (CID 110197476) is 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is CC(=O)N1CCC[C@H](n2c(=O)n(C)c3cccnc32)C1.
What is the InChIKey of 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is RCIPDNVLEMREBN-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(19)17-8-4-5-11(9-17)18-13-12(6-3-7-15-13)16(2)14(18)20/h3,6-7,11H,4-5,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 274.32 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-acetylpiperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 110197476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).