3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

C25H28FN5O — CID 10812693

IUPAC3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESFC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C25H28FN5O/c26-21(15-30-10-8-23(9-11-30)32-16-19-4-2-1-3-5-19)12-20-14-27-25-7-6-22(13-24(20)25)31-17-28-29-18-31/h1-7,13-14,17-18,21,23,27H,8-12,15-16H2
InChIKeyROFCSBBSQIIZMM-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.31
Rot. Bonds8

About 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole

3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 10812693) has the molecular formula C25H28FN5O and a molecular weight of 433.53 g/mol. Its IUPAC name is 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID10812693
Molecular FormulaC25H28FN5O
Molecular Weight433.53 g/mol
Exact Mass433.23
IUPAC Name3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESFC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C25H28FN5O/c26-21(15-30-10-8-23(9-11-30)32-16-19-4-2-1-3-5-19)12-20-14-27-25-7-6-22(13-24(20)25)31-17-28-29-18-31/h1-7,13-14,17-18,21,23,27H,8-12,15-16H2
InChIKeyROFCSBBSQIIZMM-UHFFFAOYSA-N
XLogP4.31
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole (CID 10812693) is 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is FC(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is ROFCSBBSQIIZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O/c26-21(15-30-10-8-23(9-11-30)32-16-19-4-2-1-3-5-19)12-20-14-27-25-7-6-22(13-24(20)25)31-17-28-29-18-31/h1-7,13-14,17-18,21,23,27H,8-12,15-16H2.
What are the key properties of 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole?
3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 433.53 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-3-(4-phenylmethoxypiperidin-1-yl)propyl]-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 10812693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).