N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C18H21N5O4 — CID 4818554

IUPACN-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H21N5O4/c1-27-14-5-6-15(16(12-14)23(25)26)20-18(24)13-21-8-10-22(11-9-21)17-4-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,24)
InChIKeyHIMMMFKKMMVHPT-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.76
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 4818554) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID4818554
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H21N5O4/c1-27-14-5-6-15(16(12-14)23(25)26)20-18(24)13-21-8-10-22(11-9-21)17-4-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,24)
InChIKeyHIMMMFKKMMVHPT-UHFFFAOYSA-N
XLogP1.76
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2978109
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 3212835
N-(4,6-dimethoxypyrimidin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17496713
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-nitrophenyl)acetamide
CID 36632423
N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 82017375
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 55840918
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 4818554) is N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is COc1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is HIMMMFKKMMVHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-27-14-5-6-15(16(12-14)23(25)26)20-18(24)13-21-8-10-22(11-9-21)17-4-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,24).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 371.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 4818554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).