2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide

C21H25F2N3O2 — CID 51031488

IUPAC2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide
SMILESNC(=O)C(CCO)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25F2N3O2/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)26-12-10-25(11-13-26)19(9-14-27)21(24)28/h1-8,19-20,27H,9-14H2,(H2,24,28)
InChIKeyBFBWMDDWOUKCDH-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.91
Rot. Bonds7

About 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide (PubChem CID 51031488) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide.

Molecular Properties

Compound Name2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide
PubChem CID51031488
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide
SMILESNC(=O)C(CCO)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25F2N3O2/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)26-12-10-25(11-13-26)19(9-14-27)21(24)28/h1-8,19-20,27H,9-14H2,(H2,24,28)
InChIKeyBFBWMDDWOUKCDH-UHFFFAOYSA-N
XLogP1.91
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide?
The IUPAC name of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide (CID 51031488) is 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide.
What is the SMILES notation for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide?
The canonical SMILES for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide is NC(=O)C(CCO)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide?
The InChIKey is BFBWMDDWOUKCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c22-17-5-1-15(2-6-17)20(16-3-7-18(23)8-4-16)26-12-10-25(11-13-26)19(9-14-27)21(24)28/h1-8,19-20,27H,9-14H2,(H2,24,28).
What are the key properties of 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide?
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide has a molecular weight of 389.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-hydroxybutanamide is sourced from PubChem (CID 51031488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).