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

C21H27N3O — CID 119845555

IUPAC3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)c2cccc(N)c2)C1
InChIInChI=1S/C21H27N3O/c1-16-6-5-11-24(14-16)15-19-8-3-2-7-18(19)13-23-21(25)17-9-4-10-20(22)12-17/h2-4,7-10,12,16H,5-6,11,13-15,22H2,1H3,(H,23,25)
InChIKeyFJTNUVIRBCFSDQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.43
Rot. Bonds5

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

3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 119845555) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID119845555
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)c2cccc(N)c2)C1
InChIInChI=1S/C21H27N3O/c1-16-6-5-11-24(14-16)15-19-8-3-2-7-18(19)13-23-21(25)17-9-4-10-20(22)12-17/h2-4,7-10,12,16H,5-6,11,13-15,22H2,1H3,(H,23,25)
InChIKeyFJTNUVIRBCFSDQ-UHFFFAOYSA-N
XLogP3.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
3-[(2-methylcyclopropanecarbonyl)amino]-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714267
N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 51947396
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
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
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
4-ethoxy-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide
CID 55713951
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525736
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 119845555) is 3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CC1CCCN(Cc2ccccc2CNC(=O)c2cccc(N)c2)C1.
What is the InChIKey of 3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is FJTNUVIRBCFSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-6-5-11-24(14-16)15-19-8-3-2-7-18(19)13-23-21(25)17-9-4-10-20(22)12-17/h2-4,7-10,12,16H,5-6,11,13-15,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 337.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 119845555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).