2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide

C18H21F4N5O3 — CID 175877165

IUPAC2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESNC(=O)C(c1cc(F)cc(NC2CCC(=O)NC2=O)c1)N1CCNC[C@@H]1C(F)(F)F
InChIInChI=1S/C18H21F4N5O3/c19-10-5-9(6-11(7-10)25-12-1-2-14(28)26-17(12)30)15(16(23)29)27-4-3-24-8-13(27)18(20,21)22/h5-7,12-13,15,24-25H,1-4,8H2,(H2,23,29)(H,26,28,30)/t12?,13-,15?/m1/s1
InChIKeyLIKCQURNIIWNOB-JVWICGRDSA-N
MW431.39 g/mol
LogP0.41
Rot. Bonds5

About 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide

2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide (PubChem CID 175877165) has the molecular formula C18H21F4N5O3 and a molecular weight of 431.39 g/mol. Its IUPAC name is 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
PubChem CID175877165
Molecular FormulaC18H21F4N5O3
Molecular Weight431.39 g/mol
Exact Mass431.16
IUPAC Name2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESNC(=O)C(c1cc(F)cc(NC2CCC(=O)NC2=O)c1)N1CCNC[C@@H]1C(F)(F)F
InChIInChI=1S/C18H21F4N5O3/c19-10-5-9(6-11(7-10)25-12-1-2-14(28)26-17(12)30)15(16(23)29)27-4-3-24-8-13(27)18(20,21)22/h5-7,12-13,15,24-25H,1-4,8H2,(H2,23,29)(H,26,28,30)/t12?,13-,15?/m1/s1
InChIKeyLIKCQURNIIWNOB-JVWICGRDSA-N
XLogP0.41
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide (CID 175877165) is 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide is NC(=O)C(c1cc(F)cc(NC2CCC(=O)NC2=O)c1)N1CCNC[C@@H]1C(F)(F)F.
What is the InChIKey of 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The InChIKey is LIKCQURNIIWNOB-JVWICGRDSA-N. The full InChI is InChI=1S/C18H21F4N5O3/c19-10-5-9(6-11(7-10)25-12-1-2-14(28)26-17(12)30)15(16(23)29)27-4-3-24-8-13(27)18(20,21)22/h5-7,12-13,15,24-25H,1-4,8H2,(H2,23,29)(H,26,28,30)/t12?,13-,15?/m1/s1.
What are the key properties of 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide has a molecular weight of 431.39 g/mol, XLogP of 0.41, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,6-dioxopiperidin-3-yl)amino]-5-fluorophenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 175877165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).