4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one

C17H23N3O5 — CID 126852228

IUPAC4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCOc1cc(=O)n(C)cc1C(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H23N3O5/c1-18-11-12(14(24-2)10-15(18)21)16(22)19-5-7-20(8-6-19)17(23)13-4-3-9-25-13/h10-11,13H,3-9H2,1-2H3
InChIKeyAJXVTSGOQVQGMK-UHFFFAOYSA-N
MW349.39 g/mol
LogP-0.14
Rot. Bonds3

About 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one

4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one (PubChem CID 126852228) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one
PubChem CID126852228
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Name4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one
SMILESCOc1cc(=O)n(C)cc1C(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H23N3O5/c1-18-11-12(14(24-2)10-15(18)21)16(22)19-5-7-20(8-6-19)17(23)13-4-3-9-25-13/h10-11,13H,3-9H2,1-2H3
InChIKeyAJXVTSGOQVQGMK-UHFFFAOYSA-N
XLogP-0.14
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methoxy-4-propan-2-ylbenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110807146
[4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801177
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
[4-(4-methoxy-3-nitrobenzoyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 8933055
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[3-(3,4-dimethoxyphenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 110293371
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110807167
[4-(5-amino-2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 82533904
1-(3,4-dimethoxyphenyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110368785
[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144884
2-(3-methoxypropyl)-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108535074

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one?
The IUPAC name of 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one (CID 126852228) is 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one is COc1cc(=O)n(C)cc1C(=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one?
The InChIKey is AJXVTSGOQVQGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-18-11-12(14(24-2)10-15(18)21)16(22)19-5-7-20(8-6-19)17(23)13-4-3-9-25-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one?
4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one has a molecular weight of 349.39 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 126852228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).