2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide

C28H34N4O3 — CID 93060136

IUPAC2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)cc1
InChIInChI=1S/C28H34N4O3/c1-2-20-9-12-22(13-10-20)29-26(33)19-32-25-18-21(27(34)30-15-5-3-6-16-30)11-14-23(25)31-17-7-4-8-24(31)28(32)35/h9-14,18,24H,2-8,15-17,19H2,1H3,(H,29,33)/t24-/m0/s1
InChIKeyMUGUAYSIDCIAHQ-DEOSSOPVSA-N
MW474.61 g/mol
LogP4.22
Rot. Bonds5

About 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide

2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 93060136) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide
PubChem CID93060136
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)cc1
InChIInChI=1S/C28H34N4O3/c1-2-20-9-12-22(13-10-20)29-26(33)19-32-25-18-21(27(34)30-15-5-3-6-16-30)11-14-23(25)31-17-7-4-8-24(31)28(32)35/h9-14,18,24H,2-8,15-17,19H2,1H3,(H,29,33)/t24-/m0/s1
InChIKeyMUGUAYSIDCIAHQ-DEOSSOPVSA-N
XLogP4.22
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide with MolForge

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Related Compounds

2-[(6aR)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93060175
2-[(6aR)-6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[(4-ethylphenyl)methyl]acetamide
CID 138857916
N-(3,5-dimethylphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53030010
N-(3-methylphenyl)-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088590
N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53030036
2-[(6aS)-6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-propylacetamide
CID 92752153
N-cyclooctyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 22578624
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2,4-dimethylphenyl)acetamide
CID 93060152
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 93060178
(6aS)-5-[2-(4-acetamidoanilino)-2-oxoethyl]-N,N-diethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 93059986
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-methoxyethyl)acetamide
CID 93060166
N-(2-methoxy-5-methylphenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53030067

Frequently Asked Questions

What is the IUPAC name of 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide (CID 93060136) is 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)cc1.
What is the InChIKey of 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is MUGUAYSIDCIAHQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-2-20-9-12-22(13-10-20)29-26(33)19-32-25-18-21(27(34)30-15-5-3-6-16-30)11-14-23(25)31-17-7-4-8-24(31)28(32)35/h9-14,18,24H,2-8,15-17,19H2,1H3,(H,29,33)/t24-/m0/s1.
What are the key properties of 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide?
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 474.61 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 93060136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).