3-(3-acetylanilino)piperidine-2,6-dione;ethane

C15H20N2O3 — CID 170751142

IUPAC3-(3-acetylanilino)piperidine-2,6-dione;ethane
SMILESCC.CC(=O)c1cccc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C13H14N2O3.C2H6/c1-8(16)9-3-2-4-10(7-9)14-11-5-6-12(17)15-13(11)18;1-2/h2-4,7,11,14H,5-6H2,1H3,(H,15,17,18);1-2H3
InChIKeyAPVTYVQBSLKDNY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.13
Rot. Bonds3

About 3-(3-acetylanilino)piperidine-2,6-dione;ethane

3-(3-acetylanilino)piperidine-2,6-dione;ethane (PubChem CID 170751142) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(3-acetylanilino)piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-(3-acetylanilino)piperidine-2,6-dione;ethane
PubChem CID170751142
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(3-acetylanilino)piperidine-2,6-dione;ethane
SMILESCC.CC(=O)c1cccc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C13H14N2O3.C2H6/c1-8(16)9-3-2-4-10(7-9)14-11-5-6-12(17)15-13(11)18;1-2/h2-4,7,11,14H,5-6H2,1H3,(H,15,17,18);1-2H3
InChIKeyAPVTYVQBSLKDNY-UHFFFAOYSA-N
XLogP2.13
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
CID 169082326
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide
CID 78507830
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282
N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-6-methyl-3-methylidenenonanamide
CID 167071320
2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide
CID 170042265
ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)piperidine-2,6-dione;ethane?
The IUPAC name of 3-(3-acetylanilino)piperidine-2,6-dione;ethane (CID 170751142) is 3-(3-acetylanilino)piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-(3-acetylanilino)piperidine-2,6-dione;ethane?
The canonical SMILES for 3-(3-acetylanilino)piperidine-2,6-dione;ethane is CC.CC(=O)c1cccc(NC2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-(3-acetylanilino)piperidine-2,6-dione;ethane?
The InChIKey is APVTYVQBSLKDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3.C2H6/c1-8(16)9-3-2-4-10(7-9)14-11-5-6-12(17)15-13(11)18;1-2/h2-4,7,11,14H,5-6H2,1H3,(H,15,17,18);1-2H3.
What are the key properties of 3-(3-acetylanilino)piperidine-2,6-dione;ethane?
3-(3-acetylanilino)piperidine-2,6-dione;ethane has a molecular weight of 276.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylanilino)piperidine-2,6-dione;ethane is sourced from PubChem (CID 170751142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).