1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride

C19H27ClFN3O3 — CID 119291699

IUPAC1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CCCCC1
InChIInChI=1S/C19H26FN3O3.ClH/c20-15-4-6-16(7-5-15)26-14-17(24)22-10-12-23(13-11-22)18(25)19(21)8-2-1-3-9-19;/h4-7H,1-3,8-14,21H2;1H
InChIKeyXIWBJNNZOLHWSL-UHFFFAOYSA-N
MW399.89 g/mol
LogP1.96
Rot. Bonds4

About 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride

1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride (PubChem CID 119291699) has the molecular formula C19H27ClFN3O3 and a molecular weight of 399.89 g/mol. Its IUPAC name is 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
PubChem CID119291699
Molecular FormulaC19H27ClFN3O3
Molecular Weight399.89 g/mol
Exact Mass399.17
IUPAC Name1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CCCCC1
InChIInChI=1S/C19H26FN3O3.ClH/c20-15-4-6-16(7-5-15)26-14-17(24)22-10-12-23(13-11-22)18(25)19(21)8-2-1-3-9-19;/h4-7H,1-3,8-14,21H2;1H
InChIKeyXIWBJNNZOLHWSL-UHFFFAOYSA-N
XLogP1.96
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
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CID 154828949
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
4-amino-1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119291703
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
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]-3-pyrrolidin-1-ylpropan-1-one
CID 110666265
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 102553352
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 119833340
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-methoxyethanone
CID 54872234

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride?
The IUPAC name of 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride (CID 119291699) is 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride?
The canonical SMILES for 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride is Cl.NC1(C(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CCCCC1.
What is the InChIKey of 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride?
The InChIKey is XIWBJNNZOLHWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O3.ClH/c20-15-4-6-16(7-5-15)26-14-17(24)22-10-12-23(13-11-22)18(25)19(21)8-2-1-3-9-19;/h4-7H,1-3,8-14,21H2;1H.
What are the key properties of 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride?
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride has a molecular weight of 399.89 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone;hydrochloride is sourced from PubChem (CID 119291699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).