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

C22H27N3O2 — CID 53283610

IUPAC2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCc1c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cccc1C(N)=O
InChIInChI=1S/C22H27N3O2/c1-15-10-12-25(13-11-15)14-17-6-8-18(9-7-17)22(27)24-20-5-3-4-19(16(20)2)21(23)26/h3-9,15H,10-14H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyAWBJBRCZDODALL-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.58
Rot. Bonds5

About 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide

2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide (PubChem CID 53283610) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
PubChem CID53283610
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
SMILESCc1c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cccc1C(N)=O
InChIInChI=1S/C22H27N3O2/c1-15-10-12-25(13-11-15)14-17-6-8-18(9-7-17)22(27)24-20-5-3-4-19(16(20)2)21(23)26/h3-9,15H,10-14H2,1-2H3,(H2,23,26)(H,24,27)
InChIKeyAWBJBRCZDODALL-UHFFFAOYSA-N
XLogP3.58
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
methyl 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 43924425
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284541
N-(2,4-dichlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92646467
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
N-(3-carbamoyl-2-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284615
ethyl 4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoate
CID 92678317
4-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 108760627
N-(4-bromophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43919557
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
The IUPAC name of 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide (CID 53283610) is 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide.
What is the SMILES notation for 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
The canonical SMILES for 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide is Cc1c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cccc1C(N)=O.
What is the InChIKey of 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
The InChIKey is AWBJBRCZDODALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-10-12-25(13-11-15)14-17-6-8-18(9-7-17)22(27)24-20-5-3-4-19(16(20)2)21(23)26/h3-9,15H,10-14H2,1-2H3,(H2,23,26)(H,24,27).
What are the key properties of 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide?
2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide is sourced from PubChem (CID 53283610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).