[(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C26H30FN5O2 — CID 94009730

IUPAC[(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C26H30FN5O2/c1-2-34-25-24(28-22-7-3-4-8-23(22)29-25)32-13-5-6-19(18-32)26(33)31-16-14-30(15-17-31)21-11-9-20(27)10-12-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3/t19-/m1/s1
InChIKeyFRKWTHGAPPBLOG-LJQANCHMSA-N
MW463.56 g/mol
LogP3.73
Rot. Bonds5

About [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 94009730) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID94009730
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name[(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C26H30FN5O2/c1-2-34-25-24(28-22-7-3-4-8-23(22)29-25)32-13-5-6-19(18-32)26(33)31-16-14-30(15-17-31)21-11-9-20(27)10-12-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3/t19-/m1/s1
InChIKeyFRKWTHGAPPBLOG-LJQANCHMSA-N
XLogP3.73
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 93052335
[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 94009698
1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451481
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
1-ethyl-3-[(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451457
N-[(4-fluorophenyl)methyl]-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752850
(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047786
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752495
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92716106
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 6487773

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 94009730) is [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is FRKWTHGAPPBLOG-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30FN5O2/c1-2-34-25-24(28-22-7-3-4-8-23(22)29-25)32-13-5-6-19(18-32)26(33)31-16-14-30(15-17-31)21-11-9-20(27)10-12-21/h3-4,7-12,19H,2,5-6,13-18H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 463.56 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 94009730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).