(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one

C24H25FN2O2 — CID 38007048

IUPAC(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H25FN2O2/c1-2-23(29-20-12-11-18-7-3-4-8-19(18)17-20)24(28)27-15-13-26(14-16-27)22-10-6-5-9-21(22)25/h3-12,17,23H,2,13-16H2,1H3/t23-/m0/s1
InChIKeyOAEKQGWFFOGGOP-QHCPKHFHSA-N
MW392.47 g/mol
LogP4.49
Rot. Bonds5

About (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one (PubChem CID 38007048) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
PubChem CID38007048
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H25FN2O2/c1-2-23(29-20-12-11-18-7-3-4-8-19(18)17-20)24(28)27-15-13-26(14-16-27)22-10-6-5-9-21(22)25/h3-12,17,23H,2,13-16H2,1H3/t23-/m0/s1
InChIKeyOAEKQGWFFOGGOP-QHCPKHFHSA-N
XLogP4.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one
CID 93487207
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 30388193
(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 92674448
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 92675803
(2S)-2-naphthalen-2-yloxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 92676495
(2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 1225094
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
2-(3,5-dimethylphenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 132657409
(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 92677927
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-phenoxybutan-1-one
CID 2930993
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(3-methylphenoxy)butan-1-one
CID 28633499

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one?
The IUPAC name of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one (CID 38007048) is (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one.
What is the SMILES notation for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one?
The canonical SMILES for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one is CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one?
The InChIKey is OAEKQGWFFOGGOP-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-2-23(29-20-12-11-18-7-3-4-8-19(18)17-20)24(28)27-15-13-26(14-16-27)22-10-6-5-9-21(22)25/h3-12,17,23H,2,13-16H2,1H3/t23-/m0/s1.
What are the key properties of (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one?
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one has a molecular weight of 392.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one is sourced from PubChem (CID 38007048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).