3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one

C18H25N3O2 — CID 8903306

IUPAC3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
SMILESC[C@@H]1CCCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1
InChIInChI=1S/C18H25N3O2/c1-13-7-6-10-20(11-13)12-16(22)21-15-9-5-4-8-14(15)19-17(23)18(21,2)3/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,23)/t13-/m1/s1
InChIKeyJYTBULVITDNXCS-CYBMUJFWSA-N
MW315.42 g/mol
LogP2.48
Rot. Bonds2

About 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one

3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one (PubChem CID 8903306) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
PubChem CID8903306
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
SMILESC[C@@H]1CCCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1
InChIInChI=1S/C18H25N3O2/c1-13-7-6-10-20(11-13)12-16(22)21-15-9-5-4-8-14(15)19-17(23)18(21,2)3/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,23)/t13-/m1/s1
InChIKeyJYTBULVITDNXCS-CYBMUJFWSA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one with MolForge

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Related Compounds

4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 120776748
4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 40881392
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8896899
3,3-dimethyl-4-[2-[4-(2-methylphenyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8725457
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903305
3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8974382
3,3-dimethyl-4-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 16573038
(3aR,7aS)-2-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 7952230
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 2474950
3,3-dimethyl-4-[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8583106
3,3-dimethyl-4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]-1H-quinoxalin-2-one
CID 4855135
3,3-dimethyl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 31629615

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one?
The IUPAC name of 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one (CID 8903306) is 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one is C[C@@H]1CCCN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1.
What is the InChIKey of 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one?
The InChIKey is JYTBULVITDNXCS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-7-6-10-20(11-13)12-16(22)21-15-9-5-4-8-14(15)19-17(23)18(21,2)3/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,23)/t13-/m1/s1.
What are the key properties of 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one?
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 8903306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).