N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide

C20H27FN4O3 — CID 78877421

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O3/c1-15(2)20(3,14-22)23-18(26)12-24-8-10-25(11-9-24)19(27)13-28-17-6-4-16(21)5-7-17/h4-7,15H,8-13H2,1-3H3,(H,23,26)
InChIKeySGOYVAVQEVBEQW-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.40
Rot. Bonds7

About N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 78877421) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID78877421
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O3/c1-15(2)20(3,14-22)23-18(26)12-24-8-10-25(11-9-24)19(27)13-28-17-6-4-16(21)5-7-17/h4-7,15H,8-13H2,1-3H3,(H,23,26)
InChIKeySGOYVAVQEVBEQW-UHFFFAOYSA-N
XLogP1.40
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 95900073
N-tert-butyl-2-[4-[2-[[2-(4-fluorophenoxy)acetyl]-methylamino]acetyl]piperazin-1-yl]acetamide
CID 9475282
2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]acetamide
CID 52523327
2-(4-fluorophenoxy)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 110932543
N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 8505748
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]acetamide
CID 55478417
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 78896792
2-[4-[2-(4-acetylphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022019
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 78611022
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 4828464

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide (CID 78877421) is N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide is CC(C)C(C)(C#N)NC(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is SGOYVAVQEVBEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-15(2)20(3,14-22)23-18(26)12-24-8-10-25(11-9-24)19(27)13-28-17-6-4-16(21)5-7-17/h4-7,15H,8-13H2,1-3H3,(H,23,26).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 390.46 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78877421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).