N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

C17H25N3O2 — CID 108518907

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NCc2cccc(CN)c2)C1
InChIInChI=1S/C17H25N3O2/c1-12-6-13(2)11-20(10-12)17(22)16(21)19-9-15-5-3-4-14(7-15)8-18/h3-5,7,12-13H,6,8-11,18H2,1-2H3,(H,19,21)
InChIKeyJUDCWVQZULMSTG-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.27
Rot. Bonds3

About N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide

N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108518907) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108518907
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
SMILESCC1CC(C)CN(C(=O)C(=O)NCc2cccc(CN)c2)C1
InChIInChI=1S/C17H25N3O2/c1-12-6-13(2)11-20(10-12)17(22)16(21)19-9-15-5-3-4-14(7-15)8-18/h3-5,7,12-13H,6,8-11,18H2,1-2H3,(H,19,21)
InChIKeyJUDCWVQZULMSTG-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide (CID 108518907) is N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is CC1CC(C)CN(C(=O)C(=O)NCc2cccc(CN)c2)C1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is JUDCWVQZULMSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-6-13(2)11-20(10-12)17(22)16(21)19-9-15-5-3-4-14(7-15)8-18/h3-5,7,12-13H,6,8-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide?
N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 303.41 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108518907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).