1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone

C16H20FN3O3 — CID 119727742

IUPAC1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESNC1(C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C16H20FN3O3/c17-12-1-3-13(4-2-12)23-11-14(21)19-7-9-20(10-8-19)15(22)16(18)5-6-16/h1-4H,5-11,18H2
InChIKeyYETKEZUAHXYGJF-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.37
Rot. Bonds4

About 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone

1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (PubChem CID 119727742) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
PubChem CID119727742
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
SMILESNC1(C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C16H20FN3O3/c17-12-1-3-13(4-2-12)23-11-14(21)19-7-9-20(10-8-19)15(22)16(18)5-6-16/h1-4H,5-11,18H2
InChIKeyYETKEZUAHXYGJF-UHFFFAOYSA-N
XLogP0.37
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
CID 119291699
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
4-amino-1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119291703
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666265
2-ethoxy-1-[4-[2-(4-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 135093803
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110818300
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
2-(4-fluorophenoxy)-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]ethanone
CID 110804461
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
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
CID 167771023

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone (CID 119727742) is 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone is NC1(C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
The InChIKey is YETKEZUAHXYGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c17-12-1-3-13(4-2-12)23-11-14(21)19-7-9-20(10-8-19)15(22)16(18)5-6-16/h1-4H,5-11,18H2.
What are the key properties of 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone?
1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone has a molecular weight of 321.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 119727742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).