2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C17H24F3N3O3 — CID 87016344

IUPAC2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H24F3N3O3/c1-13(2)9-23(12-17(18,19)20)15(24)10-21-4-6-22(7-5-21)16(25)14-3-8-26-11-14/h3,8,11,13H,4-7,9-10,12H2,1-2H3
InChIKeyBRRBEJLZKGVVLC-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.08
Rot. Bonds6

About 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 87016344) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID87016344
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H24F3N3O3/c1-13(2)9-23(12-17(18,19)20)15(24)10-21-4-6-22(7-5-21)16(25)14-3-8-26-11-14/h3,8,11,13H,4-7,9-10,12H2,1-2H3
InChIKeyBRRBEJLZKGVVLC-UHFFFAOYSA-N
XLogP2.08
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 87016344) is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)CN1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is BRRBEJLZKGVVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-13(2)9-23(12-17(18,19)20)15(24)10-21-4-6-22(7-5-21)16(25)14-3-8-26-11-14/h3,8,11,13H,4-7,9-10,12H2,1-2H3.
What are the key properties of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 375.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 87016344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).