2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide

C18H29N3O4 — CID 119920099

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCc2c(OC)cc(OC)cc2OC)C1
InChIInChI=1S/C18H29N3O4/c1-19-13-6-5-7-21(11-13)12-18(22)20-10-15-16(24-3)8-14(23-2)9-17(15)25-4/h8-9,13,19H,5-7,10-12H2,1-4H3,(H,20,22)
InChIKeyGVRISEFLIZKINZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.01
Rot. Bonds8

About 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide

2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide (PubChem CID 119920099) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
PubChem CID119920099
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCc2c(OC)cc(OC)cc2OC)C1
InChIInChI=1S/C18H29N3O4/c1-19-13-6-5-7-21(11-13)12-18(22)20-10-15-16(24-3)8-14(23-2)9-17(15)25-4/h8-9,13,19H,5-7,10-12H2,1-4H3,(H,20,22)
InChIKeyGVRISEFLIZKINZ-UHFFFAOYSA-N
XLogP1.01
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)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

2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119919709
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918965
2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide (CID 119920099) is 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide is CNC1CCCN(CC(=O)NCc2c(OC)cc(OC)cc2OC)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide?
The InChIKey is GVRISEFLIZKINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-19-13-6-5-7-21(11-13)12-18(22)20-10-15-16(24-3)8-14(23-2)9-17(15)25-4/h8-9,13,19H,5-7,10-12H2,1-4H3,(H,20,22).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide?
2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 119920099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).