3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one

C19H25F3N2O2 — CID 118947329

IUPAC3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one
SMILESCC1(C)CC(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)OC1=O
InChIInChI=1S/C19H25F3N2O2/c1-18(2)13-16(26-17(18)25)7-8-23-9-11-24(12-10-23)15-5-3-14(4-6-15)19(20,21)22/h3-6,16H,7-13H2,1-2H3
InChIKeyMZNPDFNICUAQLP-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.56
Rot. Bonds4

About 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one

3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one (PubChem CID 118947329) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one
PubChem CID118947329
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one
SMILESCC1(C)CC(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)OC1=O
InChIInChI=1S/C19H25F3N2O2/c1-18(2)13-16(26-17(18)25)7-8-23-9-11-24(12-10-23)15-5-3-14(4-6-15)19(20,21)22/h3-6,16H,7-13H2,1-2H3
InChIKeyMZNPDFNICUAQLP-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[2-[4-(4-aminophenyl)piperazin-1-yl]ethyl]-3,3-diethyloxolan-2-one
CID 140837645
(5S)-3,3-diethyl-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxolan-2-one
CID 140837520
3-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-8-(3,3,3-trifluoropropylsulfanyl)-2-oxa-8-azaspiro[4.5]decan-1-one
CID 147415817
(3S)-3-[2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethyl]-2-oxaspiro[4.5]decan-1-one
CID 140837559
3,3-diethyl-5-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one
CID 122688805
1-(2-chloroethyl)-4-[4-(trifluoromethyl)phenyl]piperazine
CID 63392477
3-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 155346944
(3R)-3-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-8-methylsulfonyl-2-oxa-8-azaspiro[4.5]decan-1-one
CID 153285771
3-methyl-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 15030077
(5R)-3-butyl-5-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-propyloxolan-2-one;propan-2-one
CID 156741393
(3R)-3-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-8-methylsulfonyl-2-oxa-8-azaspiro[4.5]decan-1-one
CID 151218095
3-[2-(4-phenylpiperazin-1-yl)ethyl]-2-oxa-8-azaspiro[4.5]decan-1-one
CID 149302733

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one?
The IUPAC name of 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one (CID 118947329) is 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one.
What is the SMILES notation for 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one?
The canonical SMILES for 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one is CC1(C)CC(CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)OC1=O.
What is the InChIKey of 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one?
The InChIKey is MZNPDFNICUAQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-18(2)13-16(26-17(18)25)7-8-23-9-11-24(12-10-23)15-5-3-14(4-6-15)19(20,21)22/h3-6,16H,7-13H2,1-2H3.
What are the key properties of 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one?
3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one has a molecular weight of 370.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]oxolan-2-one is sourced from PubChem (CID 118947329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).