cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone

C20H27N3O2 — CID 56786660

IUPACcyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone
SMILESCCN1CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)c2ccccc21
InChIInChI=1S/C20H27N3O2/c1-2-21-12-13-23(18-8-4-3-7-17(18)21)20(25)16-6-5-11-22(14-16)19(24)15-9-10-15/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3
InChIKeyXLIHCQGRMGRLJD-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.51
Rot. Bonds3

About cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone

cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone (PubChem CID 56786660) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone
PubChem CID56786660
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Namecyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone
SMILESCCN1CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)c2ccccc21
InChIInChI=1S/C20H27N3O2/c1-2-21-12-13-23(18-8-4-3-7-17(18)21)20(25)16-6-5-11-22(14-16)19(24)15-9-10-15/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3
InChIKeyXLIHCQGRMGRLJD-UHFFFAOYSA-N
XLogP2.51
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclopentyl)-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119883802
cyclobutyl-(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)methanone
CID 53071920
1-[(3S)-3-(7-fluoro-4-propyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 99793533
cyclopropyl-[3-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl)piperidin-1-yl]methanone
CID 71933736
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97041610
1-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47984287
cyclopropyl-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)methanone
CID 110876555
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclopropyl-[(3S)-3-[7-(dimethylamino)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]piperidin-1-yl]methanone
CID 95782757
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
2-amino-1-(4-ethyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 83631875

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone (CID 56786660) is cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone is CCN1CCN(C(=O)C2CCCN(C(=O)C3CC3)C2)c2ccccc21.
What is the InChIKey of cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone?
The InChIKey is XLIHCQGRMGRLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-21-12-13-23(18-8-4-3-7-17(18)21)20(25)16-6-5-11-22(14-16)19(24)15-9-10-15/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3.
What are the key properties of cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone?
cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone has a molecular weight of 341.45 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(4-ethyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56786660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).