[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C18H17F3N2O3 — CID 47024563

IUPAC[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccoc1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H17F3N2O3/c1-12-6-11-26-15(12)17(25)23-9-7-22(8-10-23)16(24)13-2-4-14(5-3-13)18(19,20)21/h2-6,11H,7-10H2,1H3
InChIKeyYOCUDGKWJGXUPN-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.21
Rot. Bonds2

About [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 47024563) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID47024563
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccoc1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H17F3N2O3/c1-12-6-11-26-15(12)17(25)23-9-7-22(8-10-23)16(24)13-2-4-14(5-3-13)18(19,20)21/h2-6,11H,7-10H2,1H3
InChIKeyYOCUDGKWJGXUPN-UHFFFAOYSA-N
XLogP3.21
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 47024563) is [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1ccoc1C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is YOCUDGKWJGXUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-12-6-11-26-15(12)17(25)23-9-7-22(8-10-23)16(24)13-2-4-14(5-3-13)18(19,20)21/h2-6,11H,7-10H2,1H3.
What are the key properties of [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 366.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 47024563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).