N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide

C19H26FN3O3 — CID 78877418

IUPACN-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C19H26FN3O3/c1-2-23(16-5-6-16)18(24)13-21-9-11-22(12-10-21)19(25)14-26-17-7-3-15(20)4-8-17/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyIQAGEJKSWDGZGO-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.36
Rot. Bonds7

About N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide

N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 78877418) has the molecular formula C19H26FN3O3 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID78877418
Molecular FormulaC19H26FN3O3
Molecular Weight363.43 g/mol
Exact Mass363.20
IUPAC NameN-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1)C1CC1
InChIInChI=1S/C19H26FN3O3/c1-2-23(16-5-6-16)18(24)13-21-9-11-22(12-10-21)19(25)14-26-17-7-3-15(20)4-8-17/h3-4,7-8,16H,2,5-6,9-14H2,1H3
InChIKeyIQAGEJKSWDGZGO-UHFFFAOYSA-N
XLogP1.36
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021981
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78877474
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78877327
1-(4-fluorophenyl)-2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 110358975
2-ethoxy-1-[4-[2-(4-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 135093803
2-(4-fluorophenoxy)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 110932543
2-(4-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559642
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 86797242
2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 829809
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 110708825

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide (CID 78877418) is N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is IQAGEJKSWDGZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3/c1-2-23(16-5-6-16)18(24)13-21-9-11-22(12-10-21)19(25)14-26-17-7-3-15(20)4-8-17/h3-4,7-8,16H,2,5-6,9-14H2,1H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide?
N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 363.43 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78877418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).