4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide

C17H27N3O — CID 62656966

IUPAC4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCC2CCCN(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-14-5-7-16(8-6-14)17(21)19-10-9-18-12-15-4-3-11-20(2)13-15/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeySUYOMTKSNWSYIX-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.66
Rot. Bonds6

About 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide

4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide (PubChem CID 62656966) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide
PubChem CID62656966
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNCC2CCCN(C)C2)cc1
InChIInChI=1S/C17H27N3O/c1-14-5-7-16(8-6-14)17(21)19-10-9-18-12-15-4-3-11-20(2)13-15/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21)
InChIKeySUYOMTKSNWSYIX-UHFFFAOYSA-N
XLogP1.66
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-[(1-methylpiperidin-4-yl)methylamino]ethyl]benzamide
CID 62657165
N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026999
4-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244391
4-methyl-N-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]benzamide
CID 107529194
N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62657161
4-fluoro-N-[(1-methylpiperidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107026989
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
4-methyl-N-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-3-yl]methyl]benzamide
CID 50847857

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide (CID 62656966) is 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide is Cc1ccc(C(=O)NCCNCC2CCCN(C)C2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide?
The InChIKey is SUYOMTKSNWSYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-5-7-16(8-6-14)17(21)19-10-9-18-12-15-4-3-11-20(2)13-15/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide?
4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(1-methylpiperidin-3-yl)methylamino]ethyl]benzamide is sourced from PubChem (CID 62656966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).