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

C16H21N3O2 — CID 63127785

IUPAC4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC1(C(=O)N2CC(=O)Nc3ccccc32)CCNCC1
InChIInChI=1S/C16H21N3O2/c1-2-16(7-9-17-10-8-16)15(21)19-11-14(20)18-12-5-3-4-6-13(12)19/h3-6,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyJJGPHXJGVPAOEW-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.75
Rot. Bonds2

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

4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 63127785) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID63127785
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC1(C(=O)N2CC(=O)Nc3ccccc32)CCNCC1
InChIInChI=1S/C16H21N3O2/c1-2-16(7-9-17-10-8-16)15(21)19-11-14(20)18-12-5-3-4-6-13(12)19/h3-6,17H,2,7-11H2,1H3,(H,18,20)
InChIKeyJJGPHXJGVPAOEW-UHFFFAOYSA-N
XLogP1.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethylpyrrolidine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63138879
4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-[2-(4-methylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 16864023
4-[2-(4-sulfanylphenyl)acetyl]-1,3-dihydroquinoxalin-2-one
CID 107021927
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186
4-[2-(ethylamino)-2-methylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 62833211
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
4-(5-ethylfuran-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 47170039
(2S,3S)-3-methyl-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]pentanoic acid
CID 7647438

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 63127785) is 4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one is CCC1(C(=O)N2CC(=O)Nc3ccccc32)CCNCC1.
What is the InChIKey of 4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is JJGPHXJGVPAOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-16(7-9-17-10-8-16)15(21)19-11-14(20)18-12-5-3-4-6-13(12)19/h3-6,17H,2,7-11H2,1H3,(H,18,20).
What are the key properties of 4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 63127785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).