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

C28H34N4O3 — CID 93060152

IUPAC2-[(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
SMILESCc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)c(C)c1
InChIInChI=1S/C28H34N4O3/c1-19-9-11-22(20(2)16-19)29-26(33)18-32-25-17-21(27(34)30-13-5-3-6-14-30)10-12-23(25)31-15-7-4-8-24(31)28(32)35/h9-12,16-17,24H,3-8,13-15,18H2,1-2H3,(H,29,33)/t24-/m0/s1
InChIKeyBTHBDFXYXWEUDY-DEOSSOPVSA-N
MW474.61 g/mol
LogP4.27
Rot. Bonds4

About 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

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 (PubChem CID 93060152) 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-(2,4-dimethylphenyl)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-(2,4-dimethylphenyl)acetamide
PubChem CID93060152
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-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)c(C)c1
InChIInChI=1S/C28H34N4O3/c1-19-9-11-22(20(2)16-19)29-26(33)18-32-25-17-21(27(34)30-13-5-3-6-14-30)10-12-23(25)31-15-7-4-8-24(31)28(32)35/h9-12,16-17,24H,3-8,13-15,18H2,1-2H3,(H,29,33)/t24-/m0/s1
InChIKeyBTHBDFXYXWEUDY-DEOSSOPVSA-N
XLogP4.27
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.27
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-(2,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
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
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-[(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-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 93060195
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
2-[(6aS)-6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 93060006
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-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-methoxyethyl)acetamide
CID 93060166

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-(2,4-dimethylphenyl)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-(2,4-dimethylphenyl)acetamide (CID 93060152) is 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.
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-(2,4-dimethylphenyl)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-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCCN3c3ccc(C(=O)N4CCCCC4)cc32)c(C)c1.
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-(2,4-dimethylphenyl)acetamide?
The InChIKey is BTHBDFXYXWEUDY-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-19-9-11-22(20(2)16-19)29-26(33)18-32-25-17-21(27(34)30-13-5-3-6-14-30)10-12-23(25)31-15-7-4-8-24(31)28(32)35/h9-12,16-17,24H,3-8,13-15,18H2,1-2H3,(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-(2,4-dimethylphenyl)acetamide?
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 has a molecular weight of 474.61 g/mol, XLogP of 4.27, 4 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-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 93060152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).