2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

C20H26N4O3S — CID 45224484

IUPAC2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCCOc1ccccc1CN1CCNC(=O)C1CC(=O)NCCc1cscn1
InChIInChI=1S/C20H26N4O3S/c1-2-27-18-6-4-3-5-15(18)12-24-10-9-22-20(26)17(24)11-19(25)21-8-7-16-13-28-14-23-16/h3-6,13-14,17H,2,7-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyCFZOUXOYTZDPIK-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.59
Rot. Bonds9

About 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide

2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 45224484) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID45224484
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCCOc1ccccc1CN1CCNC(=O)C1CC(=O)NCCc1cscn1
InChIInChI=1S/C20H26N4O3S/c1-2-27-18-6-4-3-5-15(18)12-24-10-9-22-20(26)17(24)11-19(25)21-8-7-16-13-28-14-23-16/h3-6,13-14,17H,2,7-12H2,1H3,(H,21,25)(H,22,26)
InChIKeyCFZOUXOYTZDPIK-UHFFFAOYSA-N
XLogP1.59
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 45193505
N-(2-amino-2-oxoethyl)-2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56906729
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42526586
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 95723316
2-[(2R)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 25385501
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 26331261
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95723540
2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 45184742
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 42515124
N-(2-amino-2-oxoethyl)-2-[1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56891969
2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-propylacetamide
CID 95708335
(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 95722194

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 45224484) is 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is CCOc1ccccc1CN1CCNC(=O)C1CC(=O)NCCc1cscn1.
What is the InChIKey of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is CFZOUXOYTZDPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-2-27-18-6-4-3-5-15(18)12-24-10-9-22-20(26)17(24)11-19(25)21-8-7-16-13-28-14-23-16/h3-6,13-14,17H,2,7-12H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 45224484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).