N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide

C17H27N3O — CID 62659590

IUPACN-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NCC2CCN(C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14(21)20(3)13-16-5-4-6-17(11-16)18-12-15-7-9-19(2)10-8-15/h4-6,11,15,18H,7-10,12-13H2,1-3H3
InChIKeyDDYLYSYIBIEIRB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.42
Rot. Bonds5

About N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide

N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide (PubChem CID 62659590) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
PubChem CID62659590
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1cccc(NCC2CCN(C)CC2)c1
InChIInChI=1S/C17H27N3O/c1-14(21)20(3)13-16-5-4-6-17(11-16)18-12-15-7-9-19(2)10-8-15/h4-6,11,15,18H,7-10,12-13H2,1-3H3
InChIKeyDDYLYSYIBIEIRB-UHFFFAOYSA-N
XLogP2.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide 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

N-methyl-N-[[3-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43724368
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
N-[[3-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]methyl]-N-methylacetamide
CID 62066923
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
N-[[3-[(1-ethylpiperidin-4-yl)amino]phenyl]methyl]-N-methylacetamide
CID 43724371
N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
CID 62656928
N-[[3-(3,3-dimethylbutylamino)phenyl]methyl]-N-methylacetamide
CID 62950211
tert-butyl 4-[[3-[[acetyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38583979
N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
N-methyl-N-[[3-[(3-methylcyclobutyl)amino]phenyl]methyl]acetamide
CID 104860066
1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine
CID 62657531
N-methyl-N-[[3-[(2-methyloxolan-3-yl)amino]phenyl]methyl]acetamide
CID 82726630

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide (CID 62659590) is N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide is CC(=O)N(C)Cc1cccc(NCC2CCN(C)CC2)c1.
What is the InChIKey of N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide?
The InChIKey is DDYLYSYIBIEIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(21)20(3)13-16-5-4-6-17(11-16)18-12-15-7-9-19(2)10-8-15/h4-6,11,15,18H,7-10,12-13H2,1-3H3.
What are the key properties of N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide?
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide is sourced from PubChem (CID 62659590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).