[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate

C21H20F3N3O4 — CID 11212713

IUPAC[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCN(C(=O)Oc1ccc(N2C(=O)CC(C)(C)CC2=O)cn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O4/c1-20(2)10-17(28)27(18(29)11-20)15-7-8-16(25-12-15)31-19(30)26(3)14-6-4-5-13(9-14)21(22,23)24/h4-9,12H,10-11H2,1-3H3
InChIKeyVLAJRTKGJAMDFY-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.42
Rot. Bonds3

About [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate

[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 11212713) has the molecular formula C21H20F3N3O4 and a molecular weight of 435.40 g/mol. Its IUPAC name is [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID11212713
Molecular FormulaC21H20F3N3O4
Molecular Weight435.40 g/mol
Exact Mass435.14
IUPAC Name[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCN(C(=O)Oc1ccc(N2C(=O)CC(C)(C)CC2=O)cn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O4/c1-20(2)10-17(28)27(18(29)11-20)15-7-8-16(25-12-15)31-19(30)26(3)14-6-4-5-13(9-14)21(22,23)24/h4-9,12H,10-11H2,1-3H3
InChIKeyVLAJRTKGJAMDFY-UHFFFAOYSA-N
XLogP4.42
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate (CID 11212713) is [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate is CN(C(=O)Oc1ccc(N2C(=O)CC(C)(C)CC2=O)cn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is VLAJRTKGJAMDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O4/c1-20(2)10-17(28)27(18(29)11-20)15-7-8-16(25-12-15)31-19(30)26(3)14-6-4-5-13(9-14)21(22,23)24/h4-9,12H,10-11H2,1-3H3.
What are the key properties of [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate?
[5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 435.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-2-pyridinyl] N-methyl-N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 11212713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).