4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide

C25H25N3O2 — CID 99863955

IUPAC4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide
SMILESCc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C25H25N3O2/c1-18-9-11-20(12-10-18)24(29)27-23(25(30)28-15-13-26-14-16-28)17-21-7-4-6-19-5-2-3-8-22(19)21/h2-12,17,26H,13-16H2,1H3,(H,27,29)/b23-17-
InChIKeyMBFKOTAMIWURNE-QJOMJCCJSA-N
MW399.49 g/mol
LogP3.35
Rot. Bonds4

About 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide

4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide (PubChem CID 99863955) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide
PubChem CID99863955
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide
SMILESCc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C25H25N3O2/c1-18-9-11-20(12-10-18)24(29)27-23(25(30)28-15-13-26-14-16-28)17-21-7-4-6-19-5-2-3-8-22(19)21/h2-12,17,26H,13-16H2,1H3,(H,27,29)/b23-17-
InChIKeyMBFKOTAMIWURNE-QJOMJCCJSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(azepan-1-yl)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 1042794
N-[3-(4-methylpiperazin-1-yl)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 2875560
N-[1-(2-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 3114615
4-methyl-N-[(E)-3-(2-morpholin-4-ylethylamino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 2721454
4-methyl-N-[3-(3-methylanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 4208761
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-4-methylbenzamide
CID 24791570
4-methyl-N-[(Z)-2-naphthalen-1-yl-1-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethenyl]benzamide
CID 5344227
N-[(Z)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]-4-methylbenzamide
CID 46262033
N-[(Z)-3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)indol-3-yl]-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 46262034
N-[(Z)-1-(3-bromophenyl)-3-oxo-3-pyrrolidin-1-ylprop-1-en-2-yl]-4-methylbenzamide
CID 46861054
N-[1-(2-hydroxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide
CID 3132884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide (CID 99863955) is 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide is Cc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide?
The InChIKey is MBFKOTAMIWURNE-QJOMJCCJSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18-9-11-20(12-10-18)24(29)27-23(25(30)28-15-13-26-14-16-28)17-21-7-4-6-19-5-2-3-8-22(19)21/h2-12,17,26H,13-16H2,1H3,(H,27,29)/b23-17-.
What are the key properties of 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide?
4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-1-naphthalen-1-yl-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 99863955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).