N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

C15H28N3O2+ — CID 2682146

IUPACN-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCC[NH+](CC(=O)NC(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12-6-5-9-18(10-12)11-14(19)17-15(20)16-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H2,16,17,19,20)/p+1/t12-/m1/s1
InChIKeyNTLKBOLVSKXUTR-GFCCVEGCSA-O
MW282.41 g/mol
LogP0.46
Rot. Bonds3

About N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide

N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 2682146) has the molecular formula C15H28N3O2+ and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID2682146
Molecular FormulaC15H28N3O2+
Molecular Weight282.41 g/mol
Exact Mass282.22
IUPAC NameN-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@@H]1CCC[NH+](CC(=O)NC(=O)NC2CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c1-12-6-5-9-18(10-12)11-14(19)17-15(20)16-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H2,16,17,19,20)/p+1/t12-/m1/s1
InChIKeyNTLKBOLVSKXUTR-GFCCVEGCSA-O
XLogP0.46
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479160
2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetate
CID 7258516
N-(cyclohexylcarbamoyl)-2-hydroxyacetamide
CID 16769602
N-[4-(cyclohexylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 6972133
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
N-(cyclohexylcarbamoyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2655086
N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655453
N-(cyclohexylcarbamoyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 2088213
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
N-cyclooctyl-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2446990
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7436741

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide (CID 2682146) is N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is C[C@@H]1CCC[NH+](CC(=O)NC(=O)NC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is NTLKBOLVSKXUTR-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H27N3O2/c1-12-6-5-9-18(10-12)11-14(19)17-15(20)16-13-7-3-2-4-8-13/h12-13H,2-11H2,1H3,(H2,16,17,19,20)/p+1/t12-/m1/s1.
What are the key properties of N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide?
N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 282.41 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 2682146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).