2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

C14H20N4O3 — CID 61265070

IUPAC2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H20N4O3/c1-14(2,15)13(19)17-9-7-16(8-10-17)11-3-5-12(6-4-11)18(20)21/h3-6H,7-10,15H2,1-2H3
InChIKeyAHTYSRLLWGOOGS-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.98
Rot. Bonds3

About 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one (PubChem CID 61265070) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
PubChem CID61265070
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C14H20N4O3/c1-14(2,15)13(19)17-9-7-16(8-10-17)11-3-5-12(6-4-11)18(20)21/h3-6H,7-10,15H2,1-2H3
InChIKeyAHTYSRLLWGOOGS-UHFFFAOYSA-N
XLogP0.98
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843903
(4-tert-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2866141
(4-methylpiperazin-1-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 58993930
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
3-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]but-2-en-1-one
CID 9161129
1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one
CID 5197218
N,N-diethyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2988792
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]acetamide
CID 17099339
(2,5-dimethylthiophen-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 9273216
2-bromo-2-methyl-1-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one
CID 114327555
(2-methylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3113445

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one (CID 61265070) is 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one is CC(C)(N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is AHTYSRLLWGOOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-14(2,15)13(19)17-9-7-16(8-10-17)11-3-5-12(6-4-11)18(20)21/h3-6H,7-10,15H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one?
2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 292.34 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 61265070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).