1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide

C22H20N2O4 — CID 108792195

IUPAC1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C22H20N2O4/c1-13(25)24-11-9-14(10-12-24)22(28)23-18-8-4-7-17-19(18)21(27)16-6-3-2-5-15(16)20(17)26/h2-8,14H,9-12H2,1H3,(H,23,28)
InChIKeySEGPJMQBGQBVQP-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.66
Rot. Bonds2

About 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide

1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide (PubChem CID 108792195) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide
PubChem CID108792195
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1
InChIInChI=1S/C22H20N2O4/c1-13(25)24-11-9-14(10-12-24)22(28)23-18-8-4-7-17-19(18)21(27)16-6-3-2-5-15(16)20(17)26/h2-8,14H,9-12H2,1H3,(H,23,28)
InChIKeySEGPJMQBGQBVQP-UHFFFAOYSA-N
XLogP2.66
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide 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

1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050
1-acetyl-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 6470827
methyl 1-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 8742448
N-(5-amino-9,10-dioxoanthracen-1-yl)cyclohexanecarboxamide
CID 154102442
1-acetyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide
CID 122282894
1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea
CID 5011815
N-(9,10-dioxoanthracen-1-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16827859
[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 55372469
N-(9,10-dioxoanthracen-1-yl)-2-phenylcyclopropane-1-carboxamide
CID 3349653

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide (CID 108792195) is 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)CC1.
What is the InChIKey of 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide?
The InChIKey is SEGPJMQBGQBVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-13(25)24-11-9-14(10-12-24)22(28)23-18-8-4-7-17-19(18)21(27)16-6-3-2-5-15(16)20(17)26/h2-8,14H,9-12H2,1H3,(H,23,28).
What are the key properties of 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide?
1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 108792195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).