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

C28H31N3O2 — CID 55844142

IUPAC3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)c1
InChIInChI=1S/C28H31N3O2/c1-20-7-6-8-22(17-20)19-31-15-13-25(14-16-31)29-28(33)24-12-11-21(2)26(18-24)30-27(32)23-9-4-3-5-10-23/h3-12,17-18,25H,13-16,19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyBWQNVTAJGSTIOC-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.95
Rot. Bonds6

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

3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 55844142) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID55844142
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)c1
InChIInChI=1S/C28H31N3O2/c1-20-7-6-8-22(17-20)19-31-15-13-25(14-16-31)29-28(33)24-12-11-21(2)26(18-24)30-27(32)23-9-4-3-5-10-23/h3-12,17-18,25H,13-16,19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyBWQNVTAJGSTIOC-UHFFFAOYSA-N
XLogP4.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate
CID 46483260
3-benzamido-N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 55634715
4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482213
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55845430
3-[(4-benzylpiperidin-1-yl)methyl]-N-cyclopropylbenzamide
CID 42850889
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide (CID 55844142) is 3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide is Cc1cccc(CN2CCC(NC(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)CC2)c1.
What is the InChIKey of 3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is BWQNVTAJGSTIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-20-7-6-8-22(17-20)19-31-15-13-25(14-16-31)29-28(33)24-12-11-21(2)26(18-24)30-27(32)23-9-4-3-5-10-23/h3-12,17-18,25H,13-16,19H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide?
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 441.58 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55844142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).