4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one

C17H21N3O4 — CID 24716171

IUPAC4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C17H21N3O4/c1-12-16(21)19(14-6-8-15(9-7-14)20(23)24)11-10-18(12)17(22)13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyGPJXMOWVVQIWPB-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.35
Rot. Bonds3

About 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one

4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one (PubChem CID 24716171) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one
PubChem CID24716171
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one
SMILESCC1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C17H21N3O4/c1-12-16(21)19(14-6-8-15(9-7-14)20(23)24)11-10-18(12)17(22)13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3
InChIKeyGPJXMOWVVQIWPB-UHFFFAOYSA-N
XLogP2.35
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.35
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

(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778
3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)piperazin-2-one
CID 46036176
(3S)-3-methyl-1-(4-nitrophenyl)-4-(3-phenylpropanoyl)piperazin-2-one
CID 93321618
(3R)-3-methyl-1-(4-nitrophenyl)-4-[4-(trifluoromethyl)benzoyl]piperazin-2-one
CID 93322737
4-(cyclopentanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 24716603
(3S)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 93322608
4-(cyclopropanecarbonyl)-1-(3,4-dimethoxyphenyl)-3-methylpiperazin-2-one
CID 24715846
(3S)-3-methyl-1-(3-methylphenyl)-4-(4-nitrobenzoyl)piperazin-2-one
CID 93290707
1-(3-bromophenyl)-4-(cyclopropanecarbonyl)-3-methylpiperazin-2-one
CID 24715924
(3S)-4-(cyclobutanecarbonyl)-1-(2-ethylphenyl)-3-methylpiperazin-2-one
CID 93290815
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one?
The IUPAC name of 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one (CID 24716171) is 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one?
The canonical SMILES for 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one is CC1C(=O)N(c2ccc([N+](=O)[O-])cc2)CCN1C(=O)C1CCCC1.
What is the InChIKey of 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one?
The InChIKey is GPJXMOWVVQIWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-12-16(21)19(14-6-8-15(9-7-14)20(23)24)11-10-18(12)17(22)13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3.
What are the key properties of 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one?
4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one has a molecular weight of 331.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-3-methyl-1-(4-nitrophenyl)piperazin-2-one is sourced from PubChem (CID 24716171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).