2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide

C17H27N3O — CID 79874604

IUPAC2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)CN1CCC(N)C(C)C1
InChIInChI=1S/C17H27N3O/c1-12-6-4-5-7-15(12)14(3)19-17(21)11-20-9-8-16(18)13(2)10-20/h4-7,13-14,16H,8-11,18H2,1-3H3,(H,19,21)
InChIKeyOZISVAHPTBMVJF-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide

2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide (PubChem CID 79874604) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
PubChem CID79874604
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1C(C)NC(=O)CN1CCC(N)C(C)C1
InChIInChI=1S/C17H27N3O/c1-12-6-4-5-7-15(12)14(3)19-17(21)11-20-9-8-16(18)13(2)10-20/h4-7,13-14,16H,8-11,18H2,1-3H3,(H,19,21)
InChIKeyOZISVAHPTBMVJF-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]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-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
N-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]-2-chlorobenzamide
CID 79874609
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 51730374
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-chlorophenyl)acetamide;hydrochloride
CID 119925180
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 115969183
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,3-dichlorophenyl)acetamide;hydrochloride
CID 119924970
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(1-naphthalen-1-ylethyl)acetamide
CID 111442554
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
2-(4-amino-3-methylpiperidin-1-yl)-N-(4-iodo-2-methylphenyl)acetamide;hydrochloride
CID 119924876
2-(cyclopentylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81380629

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide (CID 79874604) is 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1C(C)NC(=O)CN1CCC(N)C(C)C1.
What is the InChIKey of 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is OZISVAHPTBMVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-6-4-5-7-15(12)14(3)19-17(21)11-20-9-8-16(18)13(2)10-20/h4-7,13-14,16H,8-11,18H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide?
2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpiperidin-1-yl)-N-[1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 79874604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).