3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide

C20H23N3O2 — CID 53281808

IUPAC3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C20H23N3O2/c21-19(24)17-5-4-6-18(13-17)22-20(25)16-9-7-15(8-10-16)14-23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,24)(H,22,25)
InChIKeyCHMLVEGHHUJCHR-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.02
Rot. Bonds5

About 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide

3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide (PubChem CID 53281808) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
PubChem CID53281808
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C20H23N3O2/c21-19(24)17-5-4-6-18(13-17)22-20(25)16-9-7-15(8-10-16)14-23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,24)(H,22,25)
InChIKeyCHMLVEGHHUJCHR-UHFFFAOYSA-N
XLogP3.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34453463
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 103693338
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide?
The IUPAC name of 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide (CID 53281808) is 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide?
The canonical SMILES for 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide is NC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1.
What is the InChIKey of 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide?
The InChIKey is CHMLVEGHHUJCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-19(24)17-5-4-6-18(13-17)22-20(25)16-9-7-15(8-10-16)14-23-11-2-1-3-12-23/h4-10,13H,1-3,11-12,14H2,(H2,21,24)(H,22,25).
What are the key properties of 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide?
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide has a molecular weight of 337.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 53281808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).