N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide

C23H28N2O2 — CID 24575452

IUPACN-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O2/c1-17-8-9-19(18(2)16-17)10-11-22(26)25-14-12-21(13-15-25)24-23(27)20-6-4-3-5-7-20/h3-9,16,21H,10-15H2,1-2H3,(H,24,27)
InChIKeyYLKSYGCDIVJSGY-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.66
Rot. Bonds5

About N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide

N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide (PubChem CID 24575452) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide
PubChem CID24575452
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H28N2O2/c1-17-8-9-19(18(2)16-17)10-11-22(26)25-14-12-21(13-15-25)24-23(27)20-6-4-3-5-7-20/h3-9,16,21H,10-15H2,1-2H3,(H,24,27)
InChIKeyYLKSYGCDIVJSGY-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
4-[3-(2,4-dimethylphenyl)propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 51324491
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
3-(2,4-dimethylphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488419
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide (CID 24575452) is N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide is Cc1ccc(CCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is YLKSYGCDIVJSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-8-9-19(18(2)16-17)10-11-22(26)25-14-12-21(13-15-25)24-23(27)20-6-4-3-5-7-20/h3-9,16,21H,10-15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide?
N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 24575452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).