[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone

C22H30N4O2 — CID 93052335

IUPAC[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C22H30N4O2/c1-3-28-21-20(23-18-8-4-5-9-19(18)24-21)26-12-6-7-17(15-26)22(27)25-13-10-16(2)11-14-25/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3/t17-/m0/s1
InChIKeyASJVNAHOPPBGKW-KRWDZBQOSA-N
MW382.51 g/mol
LogP3.50
Rot. Bonds4

About [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone

[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 93052335) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID93052335
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCC(C)CC2)C1
InChIInChI=1S/C22H30N4O2/c1-3-28-21-20(23-18-8-4-5-9-19(18)24-21)26-12-6-7-17(15-26)22(27)25-13-10-16(2)11-14-25/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3/t17-/m0/s1
InChIKeyASJVNAHOPPBGKW-KRWDZBQOSA-N
XLogP3.50
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
[(3R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 94009730
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811
[(3R)-1-(3-methoxyquinoxalin-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 94009698
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752495
(3S)-N-[(4-chlorophenyl)methyl]-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047786
N-cyclopentyl-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752908
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
ethyl 1-[(3S)-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 93058035
(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 97047734
N-(4-acetamidophenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752841
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009742

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone (CID 93052335) is [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone is CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)N2CCC(C)CC2)C1.
What is the InChIKey of [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ASJVNAHOPPBGKW-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-28-21-20(23-18-8-4-5-9-19(18)24-21)26-12-6-7-17(15-26)22(27)25-13-10-16(2)11-14-25/h4-5,8-9,16-17H,3,6-7,10-15H2,1-2H3/t17-/m0/s1.
What are the key properties of [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone?
[(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 382.51 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 93052335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).