[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone

C22H26FN3O2 — CID 119883024

IUPAC[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H26FN3O2/c23-18-8-6-17(7-9-18)16-28-20-4-1-3-19(15-20)25-11-13-26(14-12-25)22(27)21-5-2-10-24-21/h1,3-4,6-9,15,21,24H,2,5,10-14,16H2
InChIKeyJEKBNBNRALYBSS-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.81
Rot. Bonds5

About [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone

[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119883024) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119883024
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H26FN3O2/c23-18-8-6-17(7-9-18)16-28-20-4-1-3-19(15-20)25-11-13-26(14-12-25)22(27)21-5-2-10-24-21/h1,3-4,6-9,15,21,24H,2,5,10-14,16H2
InChIKeyJEKBNBNRALYBSS-UHFFFAOYSA-N
XLogP2.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 119883024) is [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone is O=C(C1CCCN1)N1CCN(c2cccc(OCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is JEKBNBNRALYBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-18-8-6-17(7-9-18)16-28-20-4-1-3-19(15-20)25-11-13-26(14-12-25)22(27)21-5-2-10-24-21/h1,3-4,6-9,15,21,24H,2,5,10-14,16H2.
What are the key properties of [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 383.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119883024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).