4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid

C14H22F4N2O4 — CID 175156497

IUPAC4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCC2CC(OC(F)F)C2)CC1COC(F)F
InChIInChI=1S/C14H22F4N2O4/c15-12(16)23-8-10-7-19(3-4-20(10)14(21)22)2-1-9-5-11(6-9)24-13(17)18/h9-13H,1-8H2,(H,21,22)
InChIKeyYFTUISFWPCTISL-UHFFFAOYSA-N
MW358.33 g/mol
LogP2.30
Rot. Bonds8

About 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid

4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid (PubChem CID 175156497) has the molecular formula C14H22F4N2O4 and a molecular weight of 358.33 g/mol. Its IUPAC name is 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid
PubChem CID175156497
Molecular FormulaC14H22F4N2O4
Molecular Weight358.33 g/mol
Exact Mass358.15
IUPAC Name4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCC2CC(OC(F)F)C2)CC1COC(F)F
InChIInChI=1S/C14H22F4N2O4/c15-12(16)23-8-10-7-19(3-4-20(10)14(21)22)2-1-9-5-11(6-9)24-13(17)18/h9-13H,1-8H2,(H,21,22)
InChIKeyYFTUISFWPCTISL-UHFFFAOYSA-N
XLogP2.30
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid (CID 175156497) is 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(CCC2CC(OC(F)F)C2)CC1COC(F)F.
What is the InChIKey of 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid?
The InChIKey is YFTUISFWPCTISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4N2O4/c15-12(16)23-8-10-7-19(3-4-20(10)14(21)22)2-1-9-5-11(6-9)24-13(17)18/h9-13H,1-8H2,(H,21,22).
What are the key properties of 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid?
4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid has a molecular weight of 358.33 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(difluoromethoxy)cyclobutyl]ethyl]-2-(difluoromethoxymethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 175156497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).