3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride

C16H23ClN4O2 — CID 170749335

IUPAC3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
SMILESCN(c1ccc(N2CCNCC2)cc1)C1CCC(=O)NC1=O.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-19(14-6-7-15(21)18-16(14)22)12-2-4-13(5-3-12)20-10-8-17-9-11-20;/h2-5,14,17H,6-11H2,1H3,(H,18,21,22);1H
InChIKeyRISOFAYHYJKAJV-UHFFFAOYSA-N
MW338.84 g/mol
LogP0.76
Rot. Bonds3

About 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride

3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride (PubChem CID 170749335) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
PubChem CID170749335
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
SMILESCN(c1ccc(N2CCNCC2)cc1)C1CCC(=O)NC1=O.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-19(14-6-7-15(21)18-16(14)22)12-2-4-13(5-3-12)20-10-8-17-9-11-20;/h2-5,14,17H,6-11H2,1H3,(H,18,21,22);1H
InChIKeyRISOFAYHYJKAJV-UHFFFAOYSA-N
XLogP0.76
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
2-[(Z)-[(2,6-dioxopiperidin-3-yl)-methylhydrazinylidene]methyl]-4-piperazin-1-ylbenzaldehyde
CID 171564653
N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(5-piperazin-1-yl-2-pyridinyl)acetamide
CID 155713621
N,N-dimethyl-4-piperazin-1-ylaniline
CID 4738754
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[4-(4-piperazin-1-ylphenyl)pyrazol-1-yl]piperidine-2,6-dione
CID 135273233
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
2-(2,6-dioxopiperidin-3-yl)-5-piperazin-1-ylisoindole-1,3-dione
CID 134413720
3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 167470171
N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide
CID 168992484
3-[4-(4-piperidin-4-ylpiperidin-1-yl)anilino]piperidine-2,6-dione
CID 164719832
tert-butyl N-[1-[3-[[(3R)-2,6-dioxopiperidin-3-yl]-methylamino]phenyl]piperidin-4-yl]-N-methylcarbamate
CID 170624579

Frequently Asked Questions

What is the IUPAC name of 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride (CID 170749335) is 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride is CN(c1ccc(N2CCNCC2)cc1)C1CCC(=O)NC1=O.Cl.
What is the InChIKey of 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride?
The InChIKey is RISOFAYHYJKAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-19(14-6-7-15(21)18-16(14)22)12-2-4-13(5-3-12)20-10-8-17-9-11-20;/h2-5,14,17H,6-11H2,1H3,(H,18,21,22);1H.
What are the key properties of 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride?
3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 170749335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).