4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one

C16H19N3O3 — CID 110667506

IUPAC4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)N1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C16H19N3O3/c1-11(20)18-8-6-12(7-9-18)16(22)19-10-15(21)17-13-4-2-3-5-14(13)19/h2-5,12H,6-10H2,1H3,(H,17,21)
InChIKeyJPEABMRKXOBFTQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.23
Rot. Bonds1

About 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 110667506) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID110667506
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)N1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1
InChIInChI=1S/C16H19N3O3/c1-11(20)18-8-6-12(7-9-18)16(22)19-10-15(21)17-13-4-2-3-5-14(13)19/h2-5,12H,6-10H2,1H3,(H,17,21)
InChIKeyJPEABMRKXOBFTQ-UHFFFAOYSA-N
XLogP1.23
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(pyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63006373
4-(2-methylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106738692
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 45007672
4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 17491566
4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 139000918
4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 46361733
4-[1-[(2-fluorophenyl)methyl]piperidine-3-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 43925393
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 26860516
(4S)-4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-1,3-oxazolidin-2-one
CID 167948208
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 27449686
4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
CID 63172914
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 119519616

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 110667506) is 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one is CC(=O)N1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1.
What is the InChIKey of 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is JPEABMRKXOBFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(20)18-8-6-12(7-9-18)16(22)19-10-15(21)17-13-4-2-3-5-14(13)19/h2-5,12H,6-10H2,1H3,(H,17,21).
What are the key properties of 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 301.35 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 110667506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).