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

C23H22FN3O2 — CID 110603565

IUPAC[4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(c2cccc(OCc3cccc(F)c3)c2)CC1
InChIInChI=1S/C23H22FN3O2/c24-20-4-1-3-18(15-20)17-29-22-6-2-5-21(16-22)26-11-13-27(14-12-26)23(28)19-7-9-25-10-8-19/h1-10,15-16H,11-14,17H2
InChIKeyBZAANJPNRGDFRN-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.76
Rot. Bonds5

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

[4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110603565) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is [4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID110603565
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name[4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(c2cccc(OCc3cccc(F)c3)c2)CC1
InChIInChI=1S/C23H22FN3O2/c24-20-4-1-3-18(15-20)17-29-22-6-2-5-21(16-22)26-11-13-27(14-12-26)23(28)19-7-9-25-10-8-19/h1-10,15-16H,11-14,17H2
InChIKeyBZAANJPNRGDFRN-UHFFFAOYSA-N
XLogP3.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110818418
[3-[(3-fluorophenoxy)methyl]phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401906
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
[4-[(2-chloro-4-pyridinyl)methoxy]phenyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4120561
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
1-[4-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58348017
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
3-[3-(4-benzoylpiperazin-1-yl)phenoxy]propanoic acid
CID 22399263
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
[4-[3-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119883024
1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 8501561

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 110603565) is [4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(c2cccc(OCc3cccc(F)c3)c2)CC1.
What is the InChIKey of [4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is BZAANJPNRGDFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c24-20-4-1-3-18(15-20)17-29-22-6-2-5-21(16-22)26-11-13-27(14-12-26)23(28)19-7-9-25-10-8-19/h1-10,15-16H,11-14,17H2.
What are the key properties of [4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 391.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(3-fluorophenyl)methoxy]phenyl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110603565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).