N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide

C23H24N4O3 — CID 169225228

IUPACN-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H24N4O3/c28-23(24-22-7-3-5-19-4-1-2-6-21(19)22)17-26-14-12-25(13-15-26)16-18-8-10-20(11-9-18)27(29)30/h1-11H,12-17H2,(H,24,28)
InChIKeyOIDPFRVESHQIBI-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.50
Rot. Bonds6

About N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide

N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 169225228) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide
PubChem CID169225228
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C23H24N4O3/c28-23(24-22-7-3-5-19-4-1-2-6-21(19)22)17-26-14-12-25(13-15-26)16-18-8-10-20(11-9-18)27(29)30/h1-11H,12-17H2,(H,24,28)
InChIKeyOIDPFRVESHQIBI-UHFFFAOYSA-N
XLogP3.50
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide (CID 169225228) is N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is OIDPFRVESHQIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-23(24-22-7-3-5-19-4-1-2-6-21(19)22)17-26-14-12-25(13-15-26)16-18-8-10-20(11-9-18)27(29)30/h1-11H,12-17H2,(H,24,28).
What are the key properties of N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide?
N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 169225228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).