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

C19H28N4O2 — CID 120776748

IUPAC4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCC1(C)CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CCC1N
InChIInChI=1S/C19H28N4O2/c1-18(2)12-22(10-9-15(18)20)11-16(24)23-14-8-6-5-7-13(14)21-17(25)19(23,3)4/h5-8,15H,9-12,20H2,1-4H3,(H,21,25)
InChIKeyVIHZPBAHSJYXEE-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.81
Rot. Bonds2

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

4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one (PubChem CID 120776748) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
PubChem CID120776748
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCC1(C)CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CCC1N
InChIInChI=1S/C19H28N4O2/c1-18(2)12-22(10-9-15(18)20)11-16(24)23-14-8-6-5-7-13(14)21-17(25)19(23,3)4/h5-8,15H,9-12,20H2,1-4H3,(H,21,25)
InChIKeyVIHZPBAHSJYXEE-UHFFFAOYSA-N
XLogP1.81
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one;hydrochloride
CID 120774269
3,3-dimethyl-4-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8903306
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
5-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-4-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one;hydrochloride
CID 120776588
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
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
N-cyclopropyl-2-[[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-methylamino]acetamide
CID 9053493
3,3-dimethyl-4-[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]-1H-quinoxalin-2-one
CID 8974382
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] cyclohexanecarboxylate
CID 2474950
3,3-dimethyl-4-[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]-1H-quinoxalin-2-one
CID 4855135

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one (CID 120776748) is 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one is CC1(C)CN(CC(=O)N2c3ccccc3NC(=O)C2(C)C)CCC1N.
What is the InChIKey of 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The InChIKey is VIHZPBAHSJYXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-18(2)12-22(10-9-15(18)20)11-16(24)23-14-8-6-5-7-13(14)21-17(25)19(23,3)4/h5-8,15H,9-12,20H2,1-4H3,(H,21,25).
What are the key properties of 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one has a molecular weight of 344.46 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 120776748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).