3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C25H28FN5 — CID 10341917

IUPAC3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESFC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H28FN5/c26-22(16-30-10-8-20(9-11-30)12-19-4-2-1-3-5-19)13-21-15-27-25-7-6-23(14-24(21)25)31-17-28-29-18-31/h1-7,14-15,17-18,20,22,27H,8-13,16H2
InChIKeyMNQUDTHIXVJDIS-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.58
Rot. Bonds7

About 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 10341917) has the molecular formula C25H28FN5 and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID10341917
Molecular FormulaC25H28FN5
Molecular Weight417.53 g/mol
Exact Mass417.23
IUPAC Name3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESFC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C25H28FN5/c26-22(16-30-10-8-20(9-11-30)12-19-4-2-1-3-5-19)13-21-15-27-25-7-6-23(14-24(21)25)31-17-28-29-18-31/h1-7,14-15,17-18,20,22,27H,8-13,16H2
InChIKeyMNQUDTHIXVJDIS-UHFFFAOYSA-N
XLogP4.58
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole with MolForge

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Related Compounds

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3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 10341917) is 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole is FC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is MNQUDTHIXVJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5/c26-22(16-30-10-8-20(9-11-30)12-19-4-2-1-3-5-19)13-21-15-27-25-7-6-23(14-24(21)25)31-17-28-29-18-31/h1-7,14-15,17-18,20,22,27H,8-13,16H2.
What are the key properties of 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 417.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzylpiperidin-1-yl)-2-fluoropropyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 10341917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).