5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole

C28H30FN3 — CID 44568462

IUPAC5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole
SMILESFc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ccccc56)CC4)CC3)c2c1
InChIInChI=1S/C28H30FN3/c29-22-10-13-27-25(18-22)26(19-30-27)21-8-11-23(12-9-21)31-14-16-32(17-15-31)28-7-3-5-20-4-1-2-6-24(20)28/h1-7,10,13,18-19,21,23,30H,8-9,11-12,14-17H2
InChIKeyYIUZLZDVUZGHIP-UHFFFAOYSA-N
MW427.57 g/mol
LogP6.31
Rot. Bonds3

About 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole

5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole (PubChem CID 44568462) has the molecular formula C28H30FN3 and a molecular weight of 427.57 g/mol. Its IUPAC name is 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole
PubChem CID44568462
Molecular FormulaC28H30FN3
Molecular Weight427.57 g/mol
Exact Mass427.24
IUPAC Name5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole
SMILESFc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ccccc56)CC4)CC3)c2c1
InChIInChI=1S/C28H30FN3/c29-22-10-13-27-25(18-22)26(19-30-27)21-8-11-23(12-9-21)31-14-16-32(17-15-31)28-7-3-5-20-4-1-2-6-24(20)28/h1-7,10,13,18-19,21,23,30H,8-9,11-12,14-17H2
InChIKeyYIUZLZDVUZGHIP-UHFFFAOYSA-N
XLogP6.31
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole (CID 44568462) is 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole is Fc1ccc2[nH]cc(C3CCC(N4CCN(c5cccc6ccccc56)CC4)CC3)c2c1.
What is the InChIKey of 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole?
The InChIKey is YIUZLZDVUZGHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3/c29-22-10-13-27-25(18-22)26(19-30-27)21-8-11-23(12-9-21)31-14-16-32(17-15-31)28-7-3-5-20-4-1-2-6-24(20)28/h1-7,10,13,18-19,21,23,30H,8-9,11-12,14-17H2.
What are the key properties of 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole?
5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole has a molecular weight of 427.57 g/mol, XLogP of 6.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-(4-naphthalen-1-ylpiperazin-1-yl)cyclohexyl]-1H-indole is sourced from PubChem (CID 44568462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).