N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

C19H22N4O4 — CID 8688749

IUPACN-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O4/c1-27-18-8-7-16(23(25)26)13-17(18)20-19(24)14-21-9-11-22(12-10-21)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,24)
InChIKeyBXTXTGIXTSIQAZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.36
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 8688749) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID8688749
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O4/c1-27-18-8-7-16(23(25)26)13-17(18)20-19(24)14-21-9-11-22(12-10-21)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,24)
InChIKeyBXTXTGIXTSIQAZ-UHFFFAOYSA-N
XLogP2.36
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
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

N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8726259
N-(2-methoxy-5-nitrophenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide
CID 108532358
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 51167725
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 4857549
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 27173357
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55494767
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-(4-nitrophenyl)acetamide
CID 18566955
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835
N-(2-methoxyphenyl)-1-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 37177131
2-(4-phenylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 2653964

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 8688749) is N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is BXTXTGIXTSIQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-27-18-8-7-16(23(25)26)13-17(18)20-19(24)14-21-9-11-22(12-10-21)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,20,24).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 8688749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).