3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione

C18H25N3O2 — CID 167470469

IUPAC3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
SMILESCc1cc(C2CCNCC2)ccc1N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C18H25N3O2/c1-12-11-14(13-7-9-19-10-8-13)3-4-15(12)21(2)16-5-6-17(22)20-18(16)23/h3-4,11,13,16,19H,5-10H2,1-2H3,(H,20,22,23)
InChIKeyYVJCIIGOUMEGSL-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.70
Rot. Bonds3

About 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione

3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione (PubChem CID 167470469) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
PubChem CID167470469
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
SMILESCc1cc(C2CCNCC2)ccc1N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C18H25N3O2/c1-12-11-14(13-7-9-19-10-8-13)3-4-15(12)21(2)16-5-6-17(22)20-18(16)23/h3-4,11,13,16,19H,5-10H2,1-2H3,(H,20,22,23)
InChIKeyYVJCIIGOUMEGSL-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.70
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

(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide
CID 167470652
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
CID 176968224
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
CID 176968223
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
3-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
N-(2,6-dioxopiperidin-3-yl)-N-[(Z)-2-[2-methyl-4-(1-methylpiperidin-4-yl)phenyl]ethenyl]formamide
CID 171786146
N,N,2-trimethyl-4-piperidin-4-ylbenzamide;hydrochloride
CID 169452615
3-(N-methyl-4-piperazin-1-ylanilino)piperidine-2,6-dione;hydrochloride
CID 170749335
N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide
CID 156836959
3-[2-(2-ethyl-5-piperidin-4-ylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 167071473

Frequently Asked Questions

What is the IUPAC name of 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione?
The IUPAC name of 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione (CID 167470469) is 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione.
What is the SMILES notation for 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione?
The canonical SMILES for 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione is Cc1cc(C2CCNCC2)ccc1N(C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione?
The InChIKey is YVJCIIGOUMEGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-11-14(13-7-9-19-10-8-13)3-4-15(12)21(2)16-5-6-17(22)20-18(16)23/h3-4,11,13,16,19H,5-10H2,1-2H3,(H,20,22,23).
What are the key properties of 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione?
3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione has a molecular weight of 315.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione is sourced from PubChem (CID 167470469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).