1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone

C27H32FN3O2 — CID 134161903

IUPAC1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H32FN3O2/c1-29-19-20(23-6-2-4-8-25(23)29)18-27(32)31-14-10-21(11-15-31)30-16-12-22(13-17-30)33-26-9-5-3-7-24(26)28/h2-9,19,21-22H,10-18H2,1H3
InChIKeyUHBKVWXLUDIXKA-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.39
Rot. Bonds5

About 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone

1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone (PubChem CID 134161903) has the molecular formula C27H32FN3O2 and a molecular weight of 449.57 g/mol. Its IUPAC name is 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
PubChem CID134161903
Molecular FormulaC27H32FN3O2
Molecular Weight449.57 g/mol
Exact Mass449.25
IUPAC Name1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
SMILESCn1cc(CC(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c2ccccc21
InChIInChI=1S/C27H32FN3O2/c1-29-19-20(23-6-2-4-8-25(23)29)18-27(32)31-14-10-21(11-15-31)30-16-12-22(13-17-30)33-26-9-5-3-7-24(26)28/h2-9,19,21-22H,10-18H2,1H3
InChIKeyUHBKVWXLUDIXKA-UHFFFAOYSA-N
XLogP4.39
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The IUPAC name of 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone (CID 134161903) is 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone is Cn1cc(CC(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c2ccccc21.
What is the InChIKey of 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
The InChIKey is UHBKVWXLUDIXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O2/c1-29-19-20(23-6-2-4-8-25(23)29)18-27(32)31-14-10-21(11-15-31)30-16-12-22(13-17-30)33-26-9-5-3-7-24(26)28/h2-9,19,21-22H,10-18H2,1H3.
What are the key properties of 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone?
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone has a molecular weight of 449.57 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 134161903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).