1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone

C17H23N3O4 — CID 134020517

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
SMILESO=C(COc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H23N3O4/c21-17(13-24-16-8-4-3-7-15(16)20(22)23)19-11-9-18(10-12-19)14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2
InChIKeyAUWXQAUSRZVYAM-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.06
Rot. Bonds5

About 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone

1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone (PubChem CID 134020517) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
PubChem CID134020517
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
SMILESO=C(COc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H23N3O4/c21-17(13-24-16-8-4-3-7-15(16)20(22)23)19-11-9-18(10-12-19)14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2
InChIKeyAUWXQAUSRZVYAM-UHFFFAOYSA-N
XLogP2.06
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 38390679
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 134020582
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 31611260
1-[4-(methylamino)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone;hydrochloride
CID 119561422
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 46511032
1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 18456277
1-(2-ethylpiperidin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 19169486
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 119662771
1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 9013434
4-[2-(2-nitrophenoxy)acetyl]-1,4-diazepan-2-one
CID 62897600
2-(2-nitrophenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741428

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone (CID 134020517) is 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone is O=C(COc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone?
The InChIKey is AUWXQAUSRZVYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-17(13-24-16-8-4-3-7-15(16)20(22)23)19-11-9-18(10-12-19)14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone has a molecular weight of 333.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone is sourced from PubChem (CID 134020517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).