2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

C27H28FN3O2 — CID 22263952

IUPAC2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
SMILESCC1CN(C(=O)COc2ccc3c(c2)[nH]c2ccccc23)C(C)CN1Cc1ccc(F)cc1
InChIInChI=1S/C27H28FN3O2/c1-18-15-31(19(2)14-30(18)16-20-7-9-21(28)10-8-20)27(32)17-33-22-11-12-24-23-5-3-4-6-25(23)29-26(24)13-22/h3-13,18-19,29H,14-17H2,1-2H3
InChIKeyJYXNXPAIIYEAPR-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.96
Rot. Bonds5

About 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone (PubChem CID 22263952) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
PubChem CID22263952
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC Name2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
SMILESCC1CN(C(=O)COc2ccc3c(c2)[nH]c2ccccc23)C(C)CN1Cc1ccc(F)cc1
InChIInChI=1S/C27H28FN3O2/c1-18-15-31(19(2)14-30(18)16-20-7-9-21(28)10-8-20)27(32)17-33-22-11-12-24-23-5-3-4-6-25(23)29-26(24)13-22/h3-13,18-19,29H,14-17H2,1-2H3
InChIKeyJYXNXPAIIYEAPR-UHFFFAOYSA-N
XLogP4.96
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone (CID 22263952) is 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone is CC1CN(C(=O)COc2ccc3c(c2)[nH]c2ccccc23)C(C)CN1Cc1ccc(F)cc1.
What is the InChIKey of 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone?
The InChIKey is JYXNXPAIIYEAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-18-15-31(19(2)14-30(18)16-20-7-9-21(28)10-8-20)27(32)17-33-22-11-12-24-23-5-3-4-6-25(23)29-26(24)13-22/h3-13,18-19,29H,14-17H2,1-2H3.
What are the key properties of 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone?
2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone has a molecular weight of 445.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-2-yloxy)-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 22263952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).