2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

C16H31N3O — CID 107165231

IUPAC2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)CC2CCCCC2N)CC1
InChIInChI=1S/C16H31N3O/c1-16(7-9-19(2)10-8-16)12-18-15(20)11-13-5-3-4-6-14(13)17/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyXEULFUQXMSEIPY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds4

About 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide

2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (PubChem CID 107165231) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
PubChem CID107165231
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(C)(CNC(=O)CC2CCCCC2N)CC1
InChIInChI=1S/C16H31N3O/c1-16(7-9-19(2)10-8-16)12-18-15(20)11-13-5-3-4-6-14(13)17/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyXEULFUQXMSEIPY-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminocyclohexyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 62781851
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
2-(4-aminocyclohexyl)-N-[(1-methylcyclopentyl)methyl]acetamide
CID 55260453
2-[(1S,2R)-2-aminocyclopentyl]-N-ethylacetamide
CID 130759051
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 107163946
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(ethylamino)propanamide
CID 107164032
2-[1-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107163897
N-carbamoyl-2-[(1,4-dimethylpiperidin-4-yl)methylamino]acetamide
CID 107163606
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-methylsulfonylacetamide
CID 136521862
2-cyano-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 104920672
3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 107164990
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-oxohexanoic acid
CID 107163135

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide (CID 107165231) is 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is CN1CCC(C)(CNC(=O)CC2CCCCC2N)CC1.
What is the InChIKey of 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
The InChIKey is XEULFUQXMSEIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-16(7-9-19(2)10-8-16)12-18-15(20)11-13-5-3-4-6-14(13)17/h13-14H,3-12,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide?
2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 107165231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).