N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide

C18H21F3N4O3 — CID 166553665

IUPACN-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESO=C1CCC(c2ccc(NC(=O)CN3CCNC[C@@H]3C(F)(F)F)cc2)C(=O)N1
InChIInChI=1S/C18H21F3N4O3/c19-18(20,21)14-9-22-7-8-25(14)10-16(27)23-12-3-1-11(2-4-12)13-5-6-15(26)24-17(13)28/h1-4,13-14,22H,5-10H2,(H,23,27)(H,24,26,28)/t13?,14-/m1/s1
InChIKeyUAPWOMHRIUTBMD-ARLHGKGLSA-N
MW398.39 g/mol
LogP0.98
Rot. Bonds4

About N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide

N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide (PubChem CID 166553665) has the molecular formula C18H21F3N4O3 and a molecular weight of 398.39 g/mol. Its IUPAC name is N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
PubChem CID166553665
Molecular FormulaC18H21F3N4O3
Molecular Weight398.39 g/mol
Exact Mass398.16
IUPAC NameN-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESO=C1CCC(c2ccc(NC(=O)CN3CCNC[C@@H]3C(F)(F)F)cc2)C(=O)N1
InChIInChI=1S/C18H21F3N4O3/c19-18(20,21)14-9-22-7-8-25(14)10-16(27)23-12-3-1-11(2-4-12)13-5-6-15(26)24-17(13)28/h1-4,13-14,22H,5-10H2,(H,23,27)(H,24,26,28)/t13?,14-/m1/s1
InChIKeyUAPWOMHRIUTBMD-ARLHGKGLSA-N
XLogP0.98
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 50.98
H-Bond Donors ≤ 53
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 N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide (CID 166553665) is N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide is O=C1CCC(c2ccc(NC(=O)CN3CCNC[C@@H]3C(F)(F)F)cc2)C(=O)N1.
What is the InChIKey of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The InChIKey is UAPWOMHRIUTBMD-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H21F3N4O3/c19-18(20,21)14-9-22-7-8-25(14)10-16(27)23-12-3-1-11(2-4-12)13-5-6-15(26)24-17(13)28/h1-4,13-14,22H,5-10H2,(H,23,27)(H,24,26,28)/t13?,14-/m1/s1.
What are the key properties of N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide has a molecular weight of 398.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dioxopiperidin-3-yl)phenyl]-2-[(2R)-2-(trifluoromethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 166553665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).