2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide

C21H24N4O3 — CID 26403258

IUPAC2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1Cc1ccoc1)NCCn1ccc2ccccc21
InChIInChI=1S/C21H24N4O3/c26-20(22-7-10-24-9-5-17-3-1-2-4-18(17)24)13-19-21(27)23-8-11-25(19)14-16-6-12-28-15-16/h1-6,9,12,15,19H,7-8,10-11,13-14H2,(H,22,26)(H,23,27)/t19-/m0/s1
InChIKeyREWHTWVXXXOYOG-IBGZPJMESA-N
MW380.45 g/mol
LogP1.74
Rot. Bonds7

About 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide

2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide (PubChem CID 26403258) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide
PubChem CID26403258
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1Cc1ccoc1)NCCn1ccc2ccccc21
InChIInChI=1S/C21H24N4O3/c26-20(22-7-10-24-9-5-17-3-1-2-4-18(17)24)13-19-21(27)23-8-11-25(19)14-16-6-12-28-15-16/h1-6,9,12,15,19H,7-8,10-11,13-14H2,(H,22,26)(H,23,27)/t19-/m0/s1
InChIKeyREWHTWVXXXOYOG-IBGZPJMESA-N
XLogP1.74
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide with MolForge

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Related Compounds

N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 25288787
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 3519215
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
N-(2-methylsulfanylethyl)-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 25458386
2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]acetamide
CID 45222826
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
CID 45238416
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[2-(methylsulfamoyl)ethyl]acetamide
CID 95722495
N-(3-hydroxypropyl)-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95711384
3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
CID 56895540

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide?
The IUPAC name of 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide (CID 26403258) is 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide is O=C(C[C@H]1C(=O)NCCN1Cc1ccoc1)NCCn1ccc2ccccc21.
What is the InChIKey of 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide?
The InChIKey is REWHTWVXXXOYOG-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O3/c26-20(22-7-10-24-9-5-17-3-1-2-4-18(17)24)13-19-21(27)23-8-11-25(19)14-16-6-12-28-15-16/h1-6,9,12,15,19H,7-8,10-11,13-14H2,(H,22,26)(H,23,27)/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide?
2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide is sourced from PubChem (CID 26403258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).