N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

C25H29F3N4O2 — CID 24683895

IUPACN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(CNC(=O)CN2CCN(CC(F)(F)F)CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H29F3N4O2/c1-34-19-8-6-18(7-9-19)21(22-15-29-23-5-3-2-4-20(22)23)14-30-24(33)16-31-10-12-32(13-11-31)17-25(26,27)28/h2-9,15,21,29H,10-14,16-17H2,1H3,(H,30,33)
InChIKeyRVDXXAFNCCQBCW-UHFFFAOYSA-N
MW474.53 g/mol
LogP3.60
Rot. Bonds8

About N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (PubChem CID 24683895) has the molecular formula C25H29F3N4O2 and a molecular weight of 474.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
PubChem CID24683895
Molecular FormulaC25H29F3N4O2
Molecular Weight474.53 g/mol
Exact Mass474.22
IUPAC NameN-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(CNC(=O)CN2CCN(CC(F)(F)F)CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H29F3N4O2/c1-34-19-8-6-18(7-9-19)21(22-15-29-23-5-3-2-4-20(22)23)14-30-24(33)16-31-10-12-32(13-11-31)17-25(26,27)28/h2-9,15,21,29H,10-14,16-17H2,1H3,(H,30,33)
InChIKeyRVDXXAFNCCQBCW-UHFFFAOYSA-N
XLogP3.60
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide (CID 24683895) is N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is COc1ccc(C(CNC(=O)CN2CCN(CC(F)(F)F)CC2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
The InChIKey is RVDXXAFNCCQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O2/c1-34-19-8-6-18(7-9-19)21(22-15-29-23-5-3-2-4-20(22)23)14-30-24(33)16-31-10-12-32(13-11-31)17-25(26,27)28/h2-9,15,21,29H,10-14,16-17H2,1H3,(H,30,33).
What are the key properties of N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide?
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide has a molecular weight of 474.53 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24683895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).