3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C26H33N3O2 — CID 55714267

IUPAC3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)c2cccc(NC(=O)C3CC3C)c2)C1
InChIInChI=1S/C26H33N3O2/c1-18-7-6-12-29(16-18)17-22-9-4-3-8-21(22)15-27-25(30)20-10-5-11-23(14-20)28-26(31)24-13-19(24)2/h3-5,8-11,14,18-19,24H,6-7,12-13,15-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyKIFCEUUXHAELJY-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.44
Rot. Bonds7

About 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 55714267) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID55714267
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)c2cccc(NC(=O)C3CC3C)c2)C1
InChIInChI=1S/C26H33N3O2/c1-18-7-6-12-29(16-18)17-22-9-4-3-8-21(22)15-27-25(30)20-10-5-11-23(14-20)28-26(31)24-13-19(24)2/h3-5,8-11,14,18-19,24H,6-7,12-13,15-17H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyKIFCEUUXHAELJY-UHFFFAOYSA-N
XLogP4.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide with MolForge

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Related Compounds

3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119845555
3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46466905
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
N-[[2-(ethoxymethyl)phenyl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 47028913
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56517981
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650150
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 51947396
3-acetamido-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide
CID 55729046
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057
2,4-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714039
2,5-dichloro-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]thiophene-3-carboxamide
CID 55718125

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 55714267) is 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CC1CCCN(Cc2ccccc2CNC(=O)c2cccc(NC(=O)C3CC3C)c2)C1.
What is the InChIKey of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is KIFCEUUXHAELJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-18-7-6-12-29(16-18)17-22-9-4-3-8-21(22)15-27-25(30)20-10-5-11-23(14-20)28-26(31)24-13-19(24)2/h3-5,8-11,14,18-19,24H,6-7,12-13,15-17H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 419.57 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 55714267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).