N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide

C30H40N4O4 — CID 170002613

IUPACN-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide
SMILESCCC1(OC)CCN(Cc2ccc(CNc3cccc(C)c3C(=O)N(C)C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C30H40N4O4/c1-5-30(38-4)15-17-34(18-16-30)20-23-11-9-22(10-12-23)19-31-24-8-6-7-21(2)27(24)29(37)33(3)25-13-14-26(35)32-28(25)36/h6-12,25,31H,5,13-20H2,1-4H3,(H,32,35,36)
InChIKeyXEJWNKACTUFWLE-UHFFFAOYSA-N
MW520.67 g/mol
LogP3.88
Rot. Bonds9

About N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide

N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide (PubChem CID 170002613) has the molecular formula C30H40N4O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide
PubChem CID170002613
Molecular FormulaC30H40N4O4
Molecular Weight520.67 g/mol
Exact Mass520.30
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide
SMILESCCC1(OC)CCN(Cc2ccc(CNc3cccc(C)c3C(=O)N(C)C3CCC(=O)NC3=O)cc2)CC1
InChIInChI=1S/C30H40N4O4/c1-5-30(38-4)15-17-34(18-16-30)20-23-11-9-22(10-12-23)19-31-24-8-6-7-21(2)27(24)29(37)33(3)25-13-14-26(35)32-28(25)36/h6-12,25,31H,5,13-20H2,1-4H3,(H,32,35,36)
InChIKeyXEJWNKACTUFWLE-UHFFFAOYSA-N
XLogP3.88
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.67
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[[4-[[2-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylanilino]methyl]phenyl]methyl]piperazin-1-yl]pentanoic acid
CID 174336036
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-6-(methylamino)benzamide;4-(piperazin-1-ylmethyl)benzaldehyde
CID 170979687
3,3-dimethylhexanoic acid;N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-6-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 166132572
2-(2,6-dioxopiperidin-3-yl)-4-[[4-[[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methylamino]isoindole-1,3-dione
CID 146195269
3-[8-[[4-(azepan-1-ylmethyl)phenyl]methylamino]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 162728998
4-[[4-(azonan-1-ylmethyl)phenyl]methylamino]-2-[(3R)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 174350229
2-(2,6-dioxopiperidin-3-yl)-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]isoindole-1,3-dione
CID 170002551
4-[[4-[(2,2-dimethyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methyl]phenyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 146195503
3-[7-[[4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]phenyl]methylamino]-1-hydroxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146209888
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
CID 145256134
3-[4-oxo-5-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]quinazolin-3-yl]piperidine-2,6-dione
CID 156837203
3-[4-oxo-5-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methylamino]-1,2,3-benzotriazin-3-yl]piperidine-2,6-dione
CID 156837309

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide (CID 170002613) is N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide is CCC1(OC)CCN(Cc2ccc(CNc3cccc(C)c3C(=O)N(C)C3CCC(=O)NC3=O)cc2)CC1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide?
The InChIKey is XEJWNKACTUFWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4/c1-5-30(38-4)15-17-34(18-16-30)20-23-11-9-22(10-12-23)19-31-24-8-6-7-21(2)27(24)29(37)33(3)25-13-14-26(35)32-28(25)36/h6-12,25,31H,5,13-20H2,1-4H3,(H,32,35,36).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide?
N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide has a molecular weight of 520.67 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-[[4-[(4-ethyl-4-methoxypiperidin-1-yl)methyl]phenyl]methylamino]-N,6-dimethylbenzamide is sourced from PubChem (CID 170002613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).