4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide

C22H27F2N3O2 — CID 4913164

IUPAC4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27F2N3O2/c1-2-25-22(28)27-13-11-26(12-14-27)15-16-29-21(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,21H,2,11-16H2,1H3,(H,25,28)
InChIKeyCIWKSEGMEYIXMB-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.42
Rot. Bonds7

About 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide

4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 4913164) has the molecular formula C22H27F2N3O2 and a molecular weight of 403.47 g/mol. Its IUPAC name is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide
PubChem CID4913164
Molecular FormulaC22H27F2N3O2
Molecular Weight403.47 g/mol
Exact Mass403.21
IUPAC Name4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27F2N3O2/c1-2-25-22(28)27-13-11-26(12-14-27)15-16-29-21(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,21H,2,11-16H2,1H3,(H,25,28)
InChIKeyCIWKSEGMEYIXMB-UHFFFAOYSA-N
XLogP3.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide (CID 4913164) is 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is CIWKSEGMEYIXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O2/c1-2-25-22(28)27-13-11-26(12-14-27)15-16-29-21(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,21H,2,11-16H2,1H3,(H,25,28).
What are the key properties of 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide?
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 4913164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).