2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide

C16H31N3O — CID 63248834

IUPAC2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCNCC1CCN(CC(=O)NC2CCC(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13-3-5-15(6-4-13)18-16(20)12-19-9-7-14(8-10-19)11-17-2/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyOPLLYBUKHWHPNY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide

2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide (PubChem CID 63248834) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
PubChem CID63248834
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide
SMILESCNCC1CCN(CC(=O)NC2CCC(C)CC2)CC1
InChIInChI=1S/C16H31N3O/c1-13-3-5-15(6-4-13)18-16(20)12-19-9-7-14(8-10-19)11-17-2/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyOPLLYBUKHWHPNY-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)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-cyclohexyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922360
N-(cyclopropylmethyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248525
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
N-cyclopentyl-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63847192
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248963
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 134045389
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267509
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63248872
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-(4-methylcyclohexyl)acetamide
CID 156836877
N-(4-methylcyclohexyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975687

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide (CID 63248834) is 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide is CNCC1CCN(CC(=O)NC2CCC(C)CC2)CC1.
What is the InChIKey of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
The InChIKey is OPLLYBUKHWHPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-3-5-15(6-4-13)18-16(20)12-19-9-7-14(8-10-19)11-17-2/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide?
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 63248834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).