N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide

C25H30FN3O2 — CID 10342250

IUPACN-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C25H30FN3O2/c1-19(30)29(17-20-5-3-2-4-6-20)18-25(31)10-13-28(14-11-25)12-9-21-16-27-24-8-7-22(26)15-23(21)24/h2-8,15-16,27,31H,9-14,17-18H2,1H3
InChIKeyPDSWEFSKVYAJAV-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.73
Rot. Bonds7

About N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide

N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide (PubChem CID 10342250) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide
PubChem CID10342250
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC NameN-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide
SMILESCC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C25H30FN3O2/c1-19(30)29(17-20-5-3-2-4-6-20)18-25(31)10-13-28(14-11-25)12-9-21-16-27-24-8-7-22(26)15-23(21)24/h2-8,15-16,27,31H,9-14,17-18H2,1H3
InChIKeyPDSWEFSKVYAJAV-UHFFFAOYSA-N
XLogP3.73
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The IUPAC name of N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide (CID 10342250) is N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide is CC(=O)N(Cc1ccccc1)CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
The InChIKey is PDSWEFSKVYAJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-19(30)29(17-20-5-3-2-4-6-20)18-25(31)10-13-28(14-11-25)12-9-21-16-27-24-8-7-22(26)15-23(21)24/h2-8,15-16,27,31H,9-14,17-18H2,1H3.
What are the key properties of N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide?
N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide has a molecular weight of 423.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-hydroxypiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 10342250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).