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

C32H41N5O3 — CID 98325112

IUPAC2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(1-benzylpiperidin-4-yl)acetamide
SMILESO=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C32H41N5O3/c38-30(33-26-14-19-34(20-15-26)22-24-9-3-1-4-10-24)23-37-29-21-25(31(39)35-16-6-2-7-17-35)12-13-27(29)36-18-8-5-11-28(36)32(37)40/h1,3-4,9-10,12-13,21,26,28H,2,5-8,11,14-20,22-23H2,(H,33,38)/t28-/m0/s1
InChIKeyRQYBUBPTBRWHSO-NDEPHWFRSA-N
MW543.71 g/mol
LogP3.80
Rot. Bonds6

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

2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(1-benzylpiperidin-4-yl)acetamide (PubChem CID 98325112) has the molecular formula C32H41N5O3 and a molecular weight of 543.71 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-(1-benzylpiperidin-4-yl)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-(1-benzylpiperidin-4-yl)acetamide
PubChem CID98325112
Molecular FormulaC32H41N5O3
Molecular Weight543.71 g/mol
Exact Mass543.32
IUPAC Name2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(1-benzylpiperidin-4-yl)acetamide
SMILESO=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C32H41N5O3/c38-30(33-26-14-19-34(20-15-26)22-24-9-3-1-4-10-24)23-37-29-21-25(31(39)35-16-6-2-7-17-35)12-13-27(29)36-18-8-5-11-28(36)32(37)40/h1,3-4,9-10,12-13,21,26,28H,2,5-8,11,14-20,22-23H2,(H,33,38)/t28-/m0/s1
InChIKeyRQYBUBPTBRWHSO-NDEPHWFRSA-N
XLogP3.80
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.71
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(1-benzylpiperidin-4-yl)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-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-(3-phenylpropyl)acetamide
CID 93060147
2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53008416
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-[(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-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide
CID 93060178
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-benzyl-N-ethyl-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53088570
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-(pyridin-2-ylmethyl)acetamide
CID 93060100
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
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-(1-benzylpiperidin-4-yl)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-(1-benzylpiperidin-4-yl)acetamide (CID 98325112) is 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(1-benzylpiperidin-4-yl)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-(1-benzylpiperidin-4-yl)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-(1-benzylpiperidin-4-yl)acetamide is O=C(CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21)NC1CCN(Cc2ccccc2)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-(1-benzylpiperidin-4-yl)acetamide?
The InChIKey is RQYBUBPTBRWHSO-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H41N5O3/c38-30(33-26-14-19-34(20-15-26)22-24-9-3-1-4-10-24)23-37-29-21-25(31(39)35-16-6-2-7-17-35)12-13-27(29)36-18-8-5-11-28(36)32(37)40/h1,3-4,9-10,12-13,21,26,28H,2,5-8,11,14-20,22-23H2,(H,33,38)/t28-/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-(1-benzylpiperidin-4-yl)acetamide?
2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(1-benzylpiperidin-4-yl)acetamide has a molecular weight of 543.71 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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-(1-benzylpiperidin-4-yl)acetamide is sourced from PubChem (CID 98325112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).