3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane

C12H15Cl2N3O2 — CID 169082326

IUPAC3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
SMILESClCCl.Nc1cccc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H13N3O2.CH2Cl2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16;2-1-3/h1-3,6,9,13H,4-5,12H2,(H,14,15,16);1H2
InChIKeyNVCXFKMUHQHBIB-UHFFFAOYSA-N
MW304.18 g/mol
LogP1.91
Rot. Bonds2

About 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane

3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane (PubChem CID 169082326) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane.

Molecular Properties

Compound Name3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
PubChem CID169082326
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
SMILESClCCl.Nc1cccc(NC2CCC(=O)NC2=O)c1
InChIInChI=1S/C11H13N3O2.CH2Cl2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16;2-1-3/h1-3,6,9,13H,4-5,12H2,(H,14,15,16);1H2
InChIKeyNVCXFKMUHQHBIB-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
ethane;3-(3-ethylanilino)piperidine-2,6-dione
CID 170586483
3-(3-acetylanilino)piperidine-2,6-dione;ethane
CID 170751142
3-(3-chloro-4-ethylanilino)piperidine-2,6-dione;ethane
CID 170749493
1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 167164739
3-[3-[1-(6-aminohexyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 170749885
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
3-[4-(3-oxocyclobutyl)anilino]piperidine-2,6-dione
CID 166522118
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane?
The IUPAC name of 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane (CID 169082326) is 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane.
What is the SMILES notation for 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane?
The canonical SMILES for 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane is ClCCl.Nc1cccc(NC2CCC(=O)NC2=O)c1.
What is the InChIKey of 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane?
The InChIKey is NVCXFKMUHQHBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.CH2Cl2/c12-7-2-1-3-8(6-7)13-9-4-5-10(15)14-11(9)16;2-1-3/h1-3,6,9,13H,4-5,12H2,(H,14,15,16);1H2.
What are the key properties of 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane?
3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane has a molecular weight of 304.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane is sourced from PubChem (CID 169082326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).