4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide

C23H28N2O2 — CID 108549141

IUPAC4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-17-3-7-19(8-4-17)9-12-22(26)25-15-13-21(14-16-25)24-23(27)20-10-5-18(2)6-11-20/h3-8,10-11,21H,9,12-16H2,1-2H3,(H,24,27)
InChIKeyRMJVNQMYAPQNCY-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.66
Rot. Bonds5

About 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide

4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide (PubChem CID 108549141) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
PubChem CID108549141
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-17-3-7-19(8-4-17)9-12-22(26)25-15-13-21(14-16-25)24-23(27)20-10-5-18(2)6-11-20/h3-8,10-11,21H,9,12-16H2,1-2H3,(H,24,27)
InChIKeyRMJVNQMYAPQNCY-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

2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
N-[1-(2-chloroacetyl)piperidin-4-yl]-4-methylbenzamide
CID 108559266
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
2,4-dichloro-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108566500
ethyl [4-[[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108930466
prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566504
3-cyclohexyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108555735
2-chloroethyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566503
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide (CID 108549141) is 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide is Cc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide?
The InChIKey is RMJVNQMYAPQNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17-3-7-19(8-4-17)9-12-22(26)25-15-13-21(14-16-25)24-23(27)20-10-5-18(2)6-11-20/h3-8,10-11,21H,9,12-16H2,1-2H3,(H,24,27).
What are the key properties of 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide?
4-methyl-N-[1-[3-(4-methylphenyl)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 4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108549141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).