2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

C22H28N4O3 — CID 24506735

IUPAC2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)C(C)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C22H28N4O3/c1-16(2)18-8-4-5-9-19(18)23-22(27)17(3)24-12-14-25(15-13-24)20-10-6-7-11-21(20)26(28)29/h4-11,16-17H,12-15H2,1-3H3,(H,23,27)
InChIKeySNWKWBFYGWJZIS-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.87
Rot. Bonds6

About 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 24506735) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID24506735
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)C(C)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C22H28N4O3/c1-16(2)18-8-4-5-9-19(18)23-22(27)17(3)24-12-14-25(15-13-24)20-10-6-7-11-21(20)26(28)29/h4-11,16-17H,12-15H2,1-3H3,(H,23,27)
InChIKeySNWKWBFYGWJZIS-UHFFFAOYSA-N
XLogP3.87
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
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

(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide
CID 55351442
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 42998927
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
(2S)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanoic acid
CID 94397062
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 24506732
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2S)-2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 26300667
2-[2-[4-(2-nitrophenyl)piperazin-1-yl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 24506758
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 27206617

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide (CID 24506735) is 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)C(C)N1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is SNWKWBFYGWJZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-16(2)18-8-4-5-9-19(18)23-22(27)17(3)24-12-14-25(15-13-24)20-10-6-7-11-21(20)26(28)29/h4-11,16-17H,12-15H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 24506735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).