2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide

C16H31N3O — CID 103441770

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCC1CCN(CC(=O)N(C)C2CCCCC2)C(CN)C1
InChIInChI=1S/C16H31N3O/c1-13-8-9-19(15(10-13)11-17)12-16(20)18(2)14-6-4-3-5-7-14/h13-15H,3-12,17H2,1-2H3
InChIKeyRQIZNISIQJGGON-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.84
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 103441770) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID103441770
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide
SMILESCC1CCN(CC(=O)N(C)C2CCCCC2)C(CN)C1
InChIInChI=1S/C16H31N3O/c1-13-8-9-19(15(10-13)11-17)12-16(20)18(2)14-6-4-3-5-7-14/h13-15H,3-12,17H2,1-2H3
InChIKeyRQIZNISIQJGGON-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide 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-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63839894
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide
CID 103441903
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 81493466
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclopropyl-N-methylacetamide;hydrochloride
CID 119916251
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 112622491
N-cyclohexyl-2-[2-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 60684649
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 102785072
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 103442062
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103442053
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 103442104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide (CID 103441770) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide is CC1CCN(CC(=O)N(C)C2CCCCC2)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is RQIZNISIQJGGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13-8-9-19(15(10-13)11-17)12-16(20)18(2)14-6-4-3-5-7-14/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 281.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 103441770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).