3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide

C21H25N3O2 — CID 53283593

IUPAC3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)Nc3cccc(C(N)=O)c3)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-15-9-11-24(12-10-15)14-16-5-7-17(8-6-16)21(26)23-19-4-2-3-18(13-19)20(22)25/h2-8,13,15H,9-12,14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyCGJZRZYDKAQBCU-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.27
Rot. Bonds5

About 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide

3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide (PubChem CID 53283593) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
PubChem CID53283593
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)Nc3cccc(C(N)=O)c3)cc2)CC1
InChIInChI=1S/C21H25N3O2/c1-15-9-11-24(12-10-15)14-16-5-7-17(8-6-16)21(26)23-19-4-2-3-18(13-19)20(22)25/h2-8,13,15H,9-12,14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyCGJZRZYDKAQBCU-UHFFFAOYSA-N
XLogP3.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
dimethyl 5-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzene-1,3-dicarboxylate
CID 92676048
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-prop-2-enoxyphenyl)benzamide
CID 38098647
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283610
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
N-(4-butylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30388448
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
The IUPAC name of 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide (CID 53283593) is 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
The canonical SMILES for 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide is CC1CCN(Cc2ccc(C(=O)Nc3cccc(C(N)=O)c3)cc2)CC1.
What is the InChIKey of 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
The InChIKey is CGJZRZYDKAQBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-9-11-24(12-10-15)14-16-5-7-17(8-6-16)21(26)23-19-4-2-3-18(13-19)20(22)25/h2-8,13,15H,9-12,14H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 53283593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).