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

C24H24N4O4 — CID 46562534

IUPAC2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C24H24N4O4/c29-23(16-19-8-5-7-18-6-1-2-9-20(18)19)25-17-24(30)27-14-12-26(13-15-27)21-10-3-4-11-22(21)28(31)32/h1-11H,12-17H2,(H,25,29)
InChIKeyZUGFFMJBYXXMBB-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.76
Rot. Bonds6

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

2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 46562534) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID46562534
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C24H24N4O4/c29-23(16-19-8-5-7-18-6-1-2-9-20(18)19)25-17-24(30)27-14-12-26(13-15-27)21-10-3-4-11-22(21)28(31)32/h1-11H,12-17H2,(H,25,29)
InChIKeyZUGFFMJBYXXMBB-UHFFFAOYSA-N
XLogP2.76
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.76
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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Related Compounds

2-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27825892
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
N-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964463
2-(2-chlorophenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 27825019
N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 4876133
N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55495315
2-(4-hydroxyphenyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 78806226
N-[4-[4-(2-nitrophenyl)piperazin-1-yl]-4-oxobutyl]benzamide
CID 31235669
2-naphthalen-1-yl-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 18125482
10-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acridin-9-one
CID 38505423
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119379657
(2R)-1-[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119371080

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 46562534) is 2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of 2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is ZUGFFMJBYXXMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-23(16-19-8-5-7-18-6-1-2-9-20(18)19)25-17-24(30)27-14-12-26(13-15-27)21-10-3-4-11-22(21)28(31)32/h1-11H,12-17H2,(H,25,29).
What are the key properties of 2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide?
2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 46562534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).