1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

C24H30FN3O2 — CID 24816897

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cc1
InChIInChI=1S/C24H30FN3O2/c1-19-4-10-23(11-5-19)30-18-24(29)28-12-2-3-22(17-28)27-15-13-26(14-16-27)21-8-6-20(25)7-9-21/h4-11,22H,2-3,12-18H2,1H3
InChIKeyJQZALQNCELMQPP-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.33
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 24816897) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID24816897
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cc1
InChIInChI=1S/C24H30FN3O2/c1-19-4-10-23(11-5-19)30-18-24(29)28-12-2-3-22(17-28)27-15-13-26(14-16-27)21-8-6-20(25)7-9-21/h4-11,22H,2-3,12-18H2,1H3
InChIKeyJQZALQNCELMQPP-UHFFFAOYSA-N
XLogP3.33
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone with MolForge

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Related Compounds

AC-260584
CID 9928284
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CID 12741853
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
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CID 10718277
4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-4H-benzo[1,4]oxazin-3-one
CID 10788207
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
1-{4-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-benzyl}-piperidin-2-one
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4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
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CID 11761412

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 24816897) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)cc1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is JQZALQNCELMQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-19-4-10-23(11-5-19)30-18-24(29)28-12-2-3-22(17-28)27-15-13-26(14-16-27)21-8-6-20(25)7-9-21/h4-11,22H,2-3,12-18H2,1H3.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 411.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 24816897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).