[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone

C22H21FN2O2 — CID 47005182

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN2O2/c1-27-21-15-17-5-3-2-4-16(17)14-20(21)22(26)25-12-10-24(11-13-25)19-8-6-18(23)7-9-19/h2-9,14-15H,10-13H2,1H3
InChIKeySFOIRGKEHCVFKL-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.95
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone (PubChem CID 47005182) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
PubChem CID47005182
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21FN2O2/c1-27-21-15-17-5-3-2-4-16(17)14-20(21)22(26)25-12-10-24(11-13-25)19-8-6-18(23)7-9-19/h2-9,14-15H,10-13H2,1H3
InChIKeySFOIRGKEHCVFKL-UHFFFAOYSA-N
XLogP3.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 87030057
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38029328
[4-(4-fluorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanethione
CID 2216789
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4-methoxyphenyl]-N-methylmethanesulfonamide
CID 30148628
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 46689860
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
(3-bromo-4-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46522257

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone (CID 47005182) is [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone is COc1cc2ccccc2cc1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The InChIKey is SFOIRGKEHCVFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-27-21-15-17-5-3-2-4-16(17)14-20(21)22(26)25-12-10-24(11-13-25)19-8-6-18(23)7-9-19/h2-9,14-15H,10-13H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone has a molecular weight of 364.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 47005182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).