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

C23H24N4O3 — CID 4824587

IUPACN-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C23H24N4O3/c1-17(23(28)24-22-8-4-6-18-5-2-3-7-21(18)22)25-13-15-26(16-14-25)19-9-11-20(12-10-19)27(29)30/h2-12,17H,13-16H2,1H3,(H,24,28)
InChIKeyXMLLYZCEVBSZOA-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.90
Rot. Bonds5

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

N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide (PubChem CID 4824587) 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)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
PubChem CID4824587
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C23H24N4O3/c1-17(23(28)24-22-8-4-6-18-5-2-3-7-21(18)22)25-13-15-26(16-14-25)19-9-11-20(12-10-19)27(29)30/h2-12,17H,13-16H2,1H3,(H,24,28)
InChIKeyXMLLYZCEVBSZOA-UHFFFAOYSA-N
XLogP3.90
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.90
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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Related Compounds

(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
(2S)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-propylpropanamide
CID 40741789
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 42913625
N-(4-bromophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 3957951
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 51167725
N-naphthalen-1-yl-2-piperazin-1-ylpropanamide
CID 43089580
(2R)-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27172955
(2S)-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 94762816
N-(cyclopropylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 55472130
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824501
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide (CID 4824587) is N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide?
The InChIKey is XMLLYZCEVBSZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-17(23(28)24-22-8-4-6-18-5-2-3-7-21(18)22)25-13-15-26(16-14-25)19-9-11-20(12-10-19)27(29)30/h2-12,17H,13-16H2,1H3,(H,24,28).
What are the key properties of N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide?
N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide has a molecular weight of 404.47 g/mol, XLogP of 3.90, 5 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)piperazin-1-yl]propanamide is sourced from PubChem (CID 4824587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).