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

C14H17F3N4O4 — CID 34951684

IUPAC2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccoc2)CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H17F3N4O4/c15-14(16,17)9-18-13(24)19-11(22)7-20-2-4-21(5-3-20)12(23)10-1-6-25-8-10/h1,6,8H,2-5,7,9H2,(H2,18,19,22,24)
InChIKeyAKSNORKWLBFYOL-UHFFFAOYSA-N
MW362.31 g/mol
LogP0.43
Rot. Bonds4

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

2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 34951684) has the molecular formula C14H17F3N4O4 and a molecular weight of 362.31 g/mol. Its IUPAC name is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID34951684
Molecular FormulaC14H17F3N4O4
Molecular Weight362.31 g/mol
Exact Mass362.12
IUPAC Name2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2ccoc2)CC1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C14H17F3N4O4/c15-14(16,17)9-18-13(24)19-11(22)7-20-2-4-21(5-3-20)12(23)10-1-6-25-8-10/h1,6,8H,2-5,7,9H2,(H2,18,19,22,24)
InChIKeyAKSNORKWLBFYOL-UHFFFAOYSA-N
XLogP0.43
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]acetamide
CID 35358737
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 31151705
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37375212
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34833982
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 36875873
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 46444650
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8693242
2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
CID 129368099
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 26551560
2-(4-benzoylpiperazin-1-yl)-N-(cyclopropylcarbamoyl)acetamide
CID 9223376
N-(benzylcarbamoyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 36875811
furan-3-yl-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]methanone
CID 84592483

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 34951684) is 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CN1CCN(C(=O)c2ccoc2)CC1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is AKSNORKWLBFYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O4/c15-14(16,17)9-18-13(24)19-11(22)7-20-2-4-21(5-3-20)12(23)10-1-6-25-8-10/h1,6,8H,2-5,7,9H2,(H2,18,19,22,24).
What are the key properties of 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 362.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 34951684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).