2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide

C19H22N4O4 — CID 29325726

IUPAC2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O4/c1-14-2-7-17(18(12-14)23(26)27)20-19(25)13-21-8-10-22(11-9-21)15-3-5-16(24)6-4-15/h2-7,12,24H,8-11,13H2,1H3,(H,20,25)
InChIKeyQDCVLWCSGHMGAN-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.37
Rot. Bonds5

About 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide

2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide (PubChem CID 29325726) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
PubChem CID29325726
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O4/c1-14-2-7-17(18(12-14)23(26)27)20-19(25)13-21-8-10-22(11-9-21)15-3-5-16(24)6-4-15/h2-7,12,24H,8-11,13H2,1H3,(H,20,25)
InChIKeyQDCVLWCSGHMGAN-UHFFFAOYSA-N
XLogP2.37
TPSA98.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
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

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 16959731
N-(2-fluoro-4-methylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8691168
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 27155798
N-(2-bromo-4-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 5038934
N-(2-cyano-4-nitrophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 29325723
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide
CID 55355582
N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651
N-(4-chloro-2-nitrophenyl)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 46809826
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 22194967
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide (CID 29325726) is 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide is Cc1ccc(NC(=O)CN2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
The InChIKey is QDCVLWCSGHMGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-14-2-7-17(18(12-14)23(26)27)20-19(25)13-21-8-10-22(11-9-21)15-3-5-16(24)6-4-15/h2-7,12,24H,8-11,13H2,1H3,(H,20,25).
What are the key properties of 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide?
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)acetamide is sourced from PubChem (CID 29325726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).