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

C17H23N3O3 — CID 134020582

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H23N3O3/c21-17(13-14-5-1-4-8-16(14)20(22)23)19-11-9-18(10-12-19)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2
InChIKeyCCIIXSIKAUHOGY-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.22
Rot. Bonds4

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

1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone (PubChem CID 134020582) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
PubChem CID134020582
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
SMILESO=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H23N3O3/c21-17(13-14-5-1-4-8-16(14)20(22)23)19-11-9-18(10-12-19)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2
InChIKeyCCIIXSIKAUHOGY-UHFFFAOYSA-N
XLogP2.22
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 134020517
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-(4-methylsulfonylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone
CID 51252135
1-(4-cyclohexylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 17145729
2-(2-bromophenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone
CID 113074946
1-(4-cyclohexylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 113073065
1-(4-cyclohexylpiperazin-1-yl)-2-(4-nitrophenyl)ethanone
CID 1247704
1-(4-benzylpiperidin-1-yl)-2-(2-nitrophenyl)ethanone
CID 3386923
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 2971175
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 38388235
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 43421559
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2-nitrophenyl)ethanone
CID 103900487

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone (CID 134020582) is 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone is O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone?
The InChIKey is CCIIXSIKAUHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-17(13-14-5-1-4-8-16(14)20(22)23)19-11-9-18(10-12-19)15-6-2-3-7-15/h1,4-5,8,15H,2-3,6-7,9-13H2.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone?
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone has a molecular weight of 317.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenyl)ethanone is sourced from PubChem (CID 134020582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).