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

C24H24N4O3 — CID 2933426

IUPAC4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H24N4O3/c29-24(25-21-11-13-22(14-12-21)28(30)31)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,25,29)
InChIKeyBDZXXRVHKUFKRP-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.53
Rot. Bonds5

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

4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide (PubChem CID 2933426) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
PubChem CID2933426
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H24N4O3/c29-24(25-21-11-13-22(14-12-21)28(30)31)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,25,29)
InChIKeyBDZXXRVHKUFKRP-UHFFFAOYSA-N
XLogP4.53
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide (CID 2933426) is 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide?
The InChIKey is BDZXXRVHKUFKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-24(25-21-11-13-22(14-12-21)28(30)31)27-17-15-26(16-18-27)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,25,29).
What are the key properties of 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide?
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 2933426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).