N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide

C21H20N2O3 — CID 3849711

IUPACN-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H20N2O3/c24-18(13-23-11-4-1-5-12-23)22-17-10-6-9-16-19(17)21(26)15-8-3-2-7-14(15)20(16)25/h2-3,6-10H,1,4-5,11-13H2,(H,22,24)
InChIKeySBLYAYXFYIBBQZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.89
Rot. Bonds3

About N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide

N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide (PubChem CID 3849711) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
PubChem CID3849711
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C21H20N2O3/c24-18(13-23-11-4-1-5-12-23)22-17-10-6-9-16-19(17)21(26)15-8-3-2-7-14(15)20(16)25/h2-3,6-10H,1,4-5,11-13H2,(H,22,24)
InChIKeySBLYAYXFYIBBQZ-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 8930746
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 27131729
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
1,5-bis(2-piperidin-1-ylethylamino)anthracene-9,10-dione
CID 14320115
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
N-(2-phenylsulfanylphenyl)-2-pyrrolidin-1-ylacetamide
CID 4879989
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide (CID 3849711) is N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide?
The InChIKey is SBLYAYXFYIBBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-18(13-23-11-4-1-5-12-23)22-17-10-6-9-16-19(17)21(26)15-8-3-2-7-14(15)20(16)25/h2-3,6-10H,1,4-5,11-13H2,(H,22,24).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide?
N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide has a molecular weight of 348.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 3849711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).