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

C21H25N5O2 — CID 72861368

IUPAC3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCCn1ccnc1C1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C21H25N5O2/c1-2-25-14-11-22-20(25)15-9-12-26(13-10-15)19(27)8-7-18-21(28)24-17-6-4-3-5-16(17)23-18/h3-6,11,14-15H,2,7-10,12-13H2,1H3,(H,24,28)
InChIKeyLAQCYMVMGSZZGK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.48
Rot. Bonds5

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

3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one (PubChem CID 72861368) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
PubChem CID72861368
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCCn1ccnc1C1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C21H25N5O2/c1-2-25-14-11-22-20(25)15-9-12-26(13-10-15)19(27)8-7-18-21(28)24-17-6-4-3-5-16(17)23-18/h3-6,11,14-15H,2,7-10,12-13H2,1H3,(H,24,28)
InChIKeyLAQCYMVMGSZZGK-UHFFFAOYSA-N
XLogP2.48
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 110665541
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
3-[3-[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 56910348
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474431
3-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 17430756
3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110746234
3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one
CID 97140516
3-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72929082

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one (CID 72861368) is 3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one is CCn1ccnc1C1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one?
The InChIKey is LAQCYMVMGSZZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-2-25-14-11-22-20(25)15-9-12-26(13-10-15)19(27)8-7-18-21(28)24-17-6-4-3-5-16(17)23-18/h3-6,11,14-15H,2,7-10,12-13H2,1H3,(H,24,28).
What are the key properties of 3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one?
3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 72861368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).