3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one

C17H21N3O2 — CID 23474428

IUPAC3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O2/c1-12-8-10-20(11-9-12)16(21)7-6-15-17(22)19-14-5-3-2-4-13(14)18-15/h2-5,12H,6-11H2,1H3,(H,19,22)
InChIKeyXVKVPGYRGCIZLB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.11
Rot. Bonds3

About 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one

3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one (PubChem CID 23474428) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
PubChem CID23474428
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C17H21N3O2/c1-12-8-10-20(11-9-12)16(21)7-6-15-17(22)19-14-5-3-2-4-13(14)18-15/h2-5,12H,6-11H2,1H3,(H,19,22)
InChIKeyXVKVPGYRGCIZLB-UHFFFAOYSA-N
XLogP2.11
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 110665541
3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72861368
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474431
3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110746234
3-[3-[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 56910348
3-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 17430756
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082
3-[3-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 95188441
3-[3-oxo-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 72902475

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one (CID 23474428) is 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one is CC1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
The InChIKey is XVKVPGYRGCIZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-8-10-20(11-9-12)16(21)7-6-15-17(22)19-14-5-3-2-4-13(14)18-15/h2-5,12H,6-11H2,1H3,(H,19,22).
What are the key properties of 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one has a molecular weight of 299.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 23474428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).