N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide

C21H26N4O3 — CID 55739191

IUPACN-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1C
InChIInChI=1S/C21H26N4O3/c1-3-24(20-10-5-4-7-17(20)2)21(26)16-22-11-13-23(14-12-22)18-8-6-9-19(15-18)25(27)28/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeySGPAPECANVJPNF-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.08
Rot. Bonds6

About N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide

N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 55739191) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID55739191
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1C
InChIInChI=1S/C21H26N4O3/c1-3-24(20-10-5-4-7-17(20)2)21(26)16-22-11-13-23(14-12-22)18-8-6-9-19(15-18)25(27)28/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeySGPAPECANVJPNF-UHFFFAOYSA-N
XLogP3.08
TPSA69.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 55464520
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 38124429
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-ethyl-N-(2-methylphenyl)acetamide
CID 79411167
N-ethyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 115966759
2-[4-(3-nitrophenyl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 55843110
2-(3-aminopiperidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 61297602
3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-ol
CID 60500907
2-(3-amino-4-methylpyrrolidin-1-yl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 103577314
N-(2-methyl-5-nitrophenyl)-3-[4-(3-nitrophenyl)piperazin-1-yl]propanamide
CID 55843135
2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide
CID 55842735
N-ethyl-N-(2-methylphenyl)-1-[(3-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8697625
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide (CID 55739191) is N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1C.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is SGPAPECANVJPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-24(20-10-5-4-7-17(20)2)21(26)16-22-11-13-23(14-12-22)18-8-6-9-19(15-18)25(27)28/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide?
N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55739191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).