N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

C19H22N4O3 — CID 3824217

IUPACN-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H22N4O3/c1-2-15-5-3-4-6-18(15)20-19(24)22-13-11-21(12-14-22)16-7-9-17(10-8-16)23(25)26/h3-10H,2,11-14H2,1H3,(H,20,24)
InChIKeyGDWNSQSIAXELEH-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.51
Rot. Bonds4

About N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 3824217) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID3824217
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C19H22N4O3/c1-2-15-5-3-4-6-18(15)20-19(24)22-13-11-21(12-14-22)16-7-9-17(10-8-16)23(25)26/h3-10H,2,11-14H2,1H3,(H,20,24)
InChIKeyGDWNSQSIAXELEH-UHFFFAOYSA-N
XLogP3.51
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-nitrophenyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2958060
N-(2,3-dimethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3839304
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112062
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
N-(2,4-difluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2955750
methyl 4-(4-nitrophenyl)piperazine-1-carboxylate
CID 2838036
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 50780340
N-(2-methoxy-5-methylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2958014
N-(4-fluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 4991386
4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27231869

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (CID 3824217) is N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is CCc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is GDWNSQSIAXELEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-15-5-3-4-6-18(15)20-19(24)22-13-11-21(12-14-22)16-7-9-17(10-8-16)23(25)26/h3-10H,2,11-14H2,1H3,(H,20,24).
What are the key properties of N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3824217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).