3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione

C18H24N4O2 — CID 156518135

IUPAC3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione
SMILES[H]/N=C(/c1ccc(C2CCNCC2)cc1NC)C1CCC(=O)NC1=O
InChIInChI=1S/C18H24N4O2/c1-20-15-10-12(11-6-8-21-9-7-11)2-3-13(15)17(19)14-4-5-16(23)22-18(14)24/h2-3,10-11,14,19-21H,4-9H2,1H3,(H,22,23,24)/b19-17-
InChIKeyIAWRATSDKOPWBT-ZPHPHTNESA-N
MW328.42 g/mol
LogP1.62
Rot. Bonds4

About 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione

3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione (PubChem CID 156518135) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione
PubChem CID156518135
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione
SMILES[H]/N=C(/c1ccc(C2CCNCC2)cc1NC)C1CCC(=O)NC1=O
InChIInChI=1S/C18H24N4O2/c1-20-15-10-12(11-6-8-21-9-7-11)2-3-13(15)17(19)14-4-5-16(23)22-18(14)24/h2-3,10-11,14,19-21H,4-9H2,1H3,(H,22,23,24)/b19-17-
InChIKeyIAWRATSDKOPWBT-ZPHPHTNESA-N
XLogP1.62
TPSA94.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione 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

3-[4-[1-(4-cyclohexylbutyl)piperidin-4-yl]oxy-2-(methylamino)benzenecarboximidoyl]piperidine-2,6-dione
CID 175632118
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 167071473
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 167470469
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[3-[2-(3,3-difluoropiperidin-1-yl)ethyl]-2-(methylamino)benzenecarboximidoyl]piperidine-2,6-dione
CID 176933242
3-[4-[4-[5-chloro-4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]pyrimidin-2-yl]-2-oxopiperazin-1-yl]-2-(methylamino)benzenecarboximidoyl]piperidine-2,6-dione
CID 176947869
1-[2-(methylamino)-4-piperazin-1-ylbenzenecarboximidoyl]-1,3-diazinane-2,4-dione
CID 177155602
tert-butyl 4-[3-[3-(2,6-dioxopiperidine-3-carboximidoyl)-2-(methylamino)phenyl]prop-2-ynoxy]piperidine-1-carboxylate
CID 177072798

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione (CID 156518135) is 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione is [H]/N=C(/c1ccc(C2CCNCC2)cc1NC)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione?
The InChIKey is IAWRATSDKOPWBT-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20-15-10-12(11-6-8-21-9-7-11)2-3-13(15)17(19)14-4-5-16(23)22-18(14)24/h2-3,10-11,14,19-21H,4-9H2,1H3,(H,22,23,24)/b19-17-.
What are the key properties of 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione?
3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione has a molecular weight of 328.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)-4-piperidin-4-ylbenzenecarboximidoyl]piperidine-2,6-dione is sourced from PubChem (CID 156518135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).