N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide

C25H28N4O2 — CID 42117477

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H28N4O2/c30-24(26-13-12-20-18-28-22-11-5-4-10-21(20)22)17-23-25(31)27-14-16-29(23)15-6-9-19-7-2-1-3-8-19/h1-11,18,23,28H,12-17H2,(H,26,30)(H,27,31)/b9-6+/t23-/m0/s1
InChIKeyJAAKDEFPUKZOLF-CJHOVAGGSA-N
MW416.53 g/mol
LogP2.73
Rot. Bonds8

About N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide (PubChem CID 42117477) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
PubChem CID42117477
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C25H28N4O2/c30-24(26-13-12-20-18-28-22-11-5-4-10-21(20)22)17-23-25(31)27-14-16-29(23)15-6-9-19-7-2-1-3-8-19/h1-11,18,23,28H,12-17H2,(H,26,30)(H,27,31)/b9-6+/t23-/m0/s1
InChIKeyJAAKDEFPUKZOLF-CJHOVAGGSA-N
XLogP2.73
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 45249434
2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 42457515
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
CID 45190319
2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 42189085
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-4-ylacetamide
CID 61258585
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
CID 56901443
N-(3-hydroxypropyl)-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95711384
N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
CID 5020167
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 56902232
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide (CID 42117477) is N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide is O=C(C[C@H]1C(=O)NCCN1C/C=C/c1ccccc1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide?
The InChIKey is JAAKDEFPUKZOLF-CJHOVAGGSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(26-13-12-20-18-28-22-11-5-4-10-21(20)22)17-23-25(31)27-14-16-29(23)15-6-9-19-7-2-1-3-8-19/h1-11,18,23,28H,12-17H2,(H,26,30)(H,27,31)/b9-6+/t23-/m0/s1.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 2.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 42117477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).