N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

C18H20N4O4 — CID 2861182

IUPACN-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C18H20N4O4/c1-26-17-8-2-14(3-9-17)19-18(23)21-12-10-20(11-13-21)15-4-6-16(7-5-15)22(24)25/h2-9H,10-13H2,1H3,(H,19,23)
InChIKeyBTOUAEVJKDGETI-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.96
Rot. Bonds4

About N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 2861182) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID2861182
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C18H20N4O4/c1-26-17-8-2-14(3-9-17)19-18(23)21-12-10-20(11-13-21)15-4-6-16(7-5-15)22(24)25/h2-9H,10-13H2,1H3,(H,19,23)
InChIKeyBTOUAEVJKDGETI-UHFFFAOYSA-N
XLogP2.96
TPSA87.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide (CID 2861182) is N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is BTOUAEVJKDGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-26-17-8-2-14(3-9-17)19-18(23)21-12-10-20(11-13-21)15-4-6-16(7-5-15)22(24)25/h2-9H,10-13H2,1H3,(H,19,23).
What are the key properties of N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2861182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).