2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide

C23H24N2O3 — CID 8930746

IUPAC2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1
InChIInChI=1S/C23H24N2O3/c1-14-10-15(2)12-25(11-14)13-20(26)24-19-9-5-8-18-21(19)23(28)17-7-4-3-6-16(17)22(18)27/h3-9,14-15H,10-13H2,1-2H3,(H,24,26)/t14-,15+
InChIKeyNJJKISRXABHUPE-GASCZTMLSA-N
MW376.46 g/mol
LogP3.38
Rot. Bonds3

About 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 8930746) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
PubChem CID8930746
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1
InChIInChI=1S/C23H24N2O3/c1-14-10-15(2)12-25(11-14)13-20(26)24-19-9-5-8-18-21(19)23(28)17-7-4-3-6-16(17)22(18)27/h3-9,14-15H,10-13H2,1-2H3,(H,24,26)/t14-,15+
InChIKeyNJJKISRXABHUPE-GASCZTMLSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-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-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
CID 3849711
methyl 1-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742448
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 11940771
N-(2-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930765
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8541617
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 8930541
N-[2-(aminomethyl)phenyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 16787564
N-(3-chloro-2-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 17270452
N-(2-cyanophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930267
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(9,10-dioxoanthracen-1-yl)benzamide
CID 92848131
5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121790

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide (CID 8930746) is 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide is C[C@@H]1C[C@H](C)CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C1.
What is the InChIKey of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is NJJKISRXABHUPE-GASCZTMLSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-14-10-15(2)12-25(11-14)13-20(26)24-19-9-5-8-18-21(19)23(28)17-7-4-3-6-16(17)22(18)27/h3-9,14-15H,10-13H2,1-2H3,(H,24,26)/t14-,15+.
What are the key properties of 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide?
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 8930746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).