3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one

C16H22N4O3 — CID 136560318

IUPAC3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCOCC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1
InChIInChI=1S/C16H22N4O3/c1-2-10-23-11-14(21)19-8-5-12(6-9-19)20-15-13(18-16(20)22)4-3-7-17-15/h3-4,7,12H,2,5-6,8-11H2,1H3,(H,18,22)
InChIKeyGYUCXCLNDPLJPA-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.31
Rot. Bonds5

About 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one

3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 136560318) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID136560318
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCOCC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1
InChIInChI=1S/C16H22N4O3/c1-2-10-23-11-14(21)19-8-5-12(6-9-19)20-15-13(18-16(20)22)4-3-7-17-15/h3-4,7,12H,2,5-6,8-11H2,1H3,(H,18,22)
InChIKeyGYUCXCLNDPLJPA-UHFFFAOYSA-N
XLogP1.31
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;ethyl 4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 157147875
3-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172968233
ethyl 4-[[(3S)-3-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 72544272
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
1-[(3R)-3-(2-cyclopentylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-ethoxyethanone
CID 95108212
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
2-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethoxy]benzonitrile
CID 51245670
2-propoxy-1-(4-pyridin-4-ylazepan-1-yl)ethanone
CID 136560407
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299
3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 86694189
ethane;3-ethyl-1H-imidazo[4,5-b]pyridin-2-one
CID 91018221

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one (CID 136560318) is 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one is CCCOCC(=O)N1CCC(n2c(=O)[nH]c3cccnc32)CC1.
What is the InChIKey of 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is GYUCXCLNDPLJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-2-10-23-11-14(21)19-8-5-12(6-9-19)20-15-13(18-16(20)22)4-3-7-17-15/h3-4,7,12H,2,5-6,8-11H2,1H3,(H,18,22).
What are the key properties of 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one?
3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 318.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-propoxyacetyl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 136560318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).