1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone

C24H33N5O5 — CID 46024051

IUPAC1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C24H33N5O5/c1-18(30)25-10-14-28(15-11-25)24(32)22(19-4-2-3-5-19)26-12-16-27(17-13-26)23(31)20-6-8-21(9-7-20)29(33)34/h6-9,19,22H,2-5,10-17H2,1H3
InChIKeyYRLZUJKZBGYAAJ-UHFFFAOYSA-N
MW471.56 g/mol
LogP1.60
Rot. Bonds5

About 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone (PubChem CID 46024051) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
PubChem CID46024051
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1
InChIInChI=1S/C24H33N5O5/c1-18(30)25-10-14-28(15-11-25)24(32)22(19-4-2-3-5-19)26-12-16-27(17-13-26)23(31)20-6-8-21(9-7-20)29(33)34/h6-9,19,22H,2-5,10-17H2,1H3
InChIKeyYRLZUJKZBGYAAJ-UHFFFAOYSA-N
XLogP1.60
TPSA107.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(2S)-2-cyclopentyl-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93211013
1-(4-acetylpiperazin-1-yl)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentylethanone
CID 42842330
(2S)-2-cyclopentyl-N-(3-methylbutyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210129
(2R)-2-cyclopentyl-N-[(2R)-2-methylbutyl]-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93210016
(2R)-2-cyclopentyl-N-(3-methoxypropyl)-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93209430
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982
2-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]propan-1-one
CID 51165773
[4-(4-nitrobenzoyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 3092238
2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024132
(2S)-2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93208685
2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-1-thiomorpholin-4-ylethanone
CID 46024160
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 42842553

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone (CID 46024051) is 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)C(C2CCCC2)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is YRLZUJKZBGYAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-18(30)25-10-14-28(15-11-25)24(32)22(19-4-2-3-5-19)26-12-16-27(17-13-26)23(31)20-6-8-21(9-7-20)29(33)34/h6-9,19,22H,2-5,10-17H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 471.56 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-cyclopentyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46024051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).