N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide

C14H20N4O4 — CID 82017375

IUPACN-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCNC(C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O4/c1-10-8-17(6-5-15-10)9-14(19)16-12-4-3-11(22-2)7-13(12)18(20)21/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyNWWDGUAIVOAFMW-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.84
Rot. Bonds5

About N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide (PubChem CID 82017375) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide
PubChem CID82017375
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCNC(C)C2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H20N4O4/c1-10-8-17(6-5-15-10)9-14(19)16-12-4-3-11(22-2)7-13(12)18(20)21/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,16,19)
InChIKeyNWWDGUAIVOAFMW-UHFFFAOYSA-N
XLogP0.84
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.84
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-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
ethyl (3R)-1-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533050
2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2978109
methyl 3-[[2-[(3R)-3-methylpiperazin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 104975578
2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46800759
N-(4-methoxy-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4818554
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide;hydrochloride
CID 120758174
N-(2,4-dibromophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975668
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8930758
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-(3-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide (CID 82017375) is N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide is COc1ccc(NC(=O)CN2CCNC(C)C2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The InChIKey is NWWDGUAIVOAFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-10-8-17(6-5-15-10)9-14(19)16-12-4-3-11(22-2)7-13(12)18(20)21/h3-4,7,10,15H,5-6,8-9H2,1-2H3,(H,16,19).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(3-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 82017375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).