(2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone

C27H32N4O — CID 51957452

IUPAC(2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone
SMILESCCc1nc2ccc(C(=O)N3CCC(N4c5ccccc5C[C@H]4C)CC3)cc2nc1CC
InChIInChI=1S/C27H32N4O/c1-4-22-23(5-2)29-25-17-20(10-11-24(25)28-22)27(32)30-14-12-21(13-15-30)31-18(3)16-19-8-6-7-9-26(19)31/h6-11,17-18,21H,4-5,12-16H2,1-3H3/t18-/m1/s1
InChIKeyXZODAMOMETWBGD-GOSISDBHSA-N
MW428.58 g/mol
LogP4.81
Rot. Bonds4

About (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone

(2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone (PubChem CID 51957452) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone
PubChem CID51957452
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name(2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone
SMILESCCc1nc2ccc(C(=O)N3CCC(N4c5ccccc5C[C@H]4C)CC3)cc2nc1CC
InChIInChI=1S/C27H32N4O/c1-4-22-23(5-2)29-25-17-20(10-11-24(25)28-22)27(32)30-14-12-21(13-15-30)31-18(3)16-19-8-6-7-9-26(19)31/h6-11,17-18,21H,4-5,12-16H2,1-3H3/t18-/m1/s1
InChIKeyXZODAMOMETWBGD-GOSISDBHSA-N
XLogP4.81
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-diethylquinoxalin-6-yl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 40653046
2-cyclopentyl-1-[4-(2,3-diethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 30831100
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
(2,3-diethylquinoxalin-6-yl)-(1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 139012120
1-cyclohexyl-2-methyl-2,3-dihydroindole
CID 54011888
2,1,3-benzoxadiazol-5-yl-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]methanone
CID 56908568
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10642420

Frequently Asked Questions

What is the IUPAC name of (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone (CID 51957452) is (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone is CCc1nc2ccc(C(=O)N3CCC(N4c5ccccc5C[C@H]4C)CC3)cc2nc1CC.
What is the InChIKey of (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone?
The InChIKey is XZODAMOMETWBGD-GOSISDBHSA-N. The full InChI is InChI=1S/C27H32N4O/c1-4-22-23(5-2)29-25-17-20(10-11-24(25)28-22)27(32)30-14-12-21(13-15-30)31-18(3)16-19-8-6-7-9-26(19)31/h6-11,17-18,21H,4-5,12-16H2,1-3H3/t18-/m1/s1.
What are the key properties of (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone?
(2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone has a molecular weight of 428.58 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethylquinoxalin-6-yl)-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 51957452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).