2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride

C19H32ClN3O2 — CID 119920092

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NCc2ccc(COC(C)C)cc2)C1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-15(2)24-14-17-8-6-16(7-9-17)11-21-19(23)13-22-10-4-5-18(12-22)20-3;/h6-9,15,18,20H,4-5,10-14H2,1-3H3,(H,21,23);1H
InChIKeyRIMSVXVOEPUCPC-UHFFFAOYSA-N
MW369.94 g/mol
LogP2.33
Rot. Bonds8

About 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride

2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride (PubChem CID 119920092) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
PubChem CID119920092
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NCc2ccc(COC(C)C)cc2)C1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-15(2)24-14-17-8-6-16(7-9-17)11-21-19(23)13-22-10-4-5-18(12-22)20-3;/h6-9,15,18,20H,4-5,10-14H2,1-3H3,(H,21,23);1H
InChIKeyRIMSVXVOEPUCPC-UHFFFAOYSA-N
XLogP2.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride 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-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 119920407
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 119919764
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119919488
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 119919489
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119919709
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 120761179
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-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride (CID 119920092) is 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride is CNC1CCCN(CC(=O)NCc2ccc(COC(C)C)cc2)C1.Cl.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride?
The InChIKey is RIMSVXVOEPUCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.ClH/c1-15(2)24-14-17-8-6-16(7-9-17)11-21-19(23)13-22-10-4-5-18(12-22)20-3;/h6-9,15,18,20H,4-5,10-14H2,1-3H3,(H,21,23);1H.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride?
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119920092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).