2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide

C16H31N3O — CID 81458998

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide
SMILESCCC1CN(CC(=O)NC2CCCCCC2)CCC1N
InChIInChI=1S/C16H31N3O/c1-2-13-11-19(10-9-15(13)17)12-16(20)18-14-7-5-3-4-6-8-14/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyWAGLSXVMIIQVLY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds4

About 2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide

2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide (PubChem CID 81458998) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide
PubChem CID81458998
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide
SMILESCCC1CN(CC(=O)NC2CCCCCC2)CCC1N
InChIInChI=1S/C16H31N3O/c1-2-13-11-19(10-9-15(13)17)12-16(20)18-14-7-5-3-4-6-8-14/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyWAGLSXVMIIQVLY-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3-ethylpiperidin-1-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
CID 81451259
methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate
CID 81460877
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
2-(4-amino-3-ethylpiperidin-1-yl)-N-(methylcarbamoyl)acetamide
CID 81460476
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
2-(3-aminopyrrolidin-1-yl)-N-cyclopropylacetamide
CID 62067111
N-cyclohexyl-2-[3-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 114499077
N-cyclopentyl-2-(3-ethyl-4-oxopiperidin-1-yl)acetamide
CID 114508966

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide (CID 81458998) is 2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide is CCC1CN(CC(=O)NC2CCCCCC2)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide?
The InChIKey is WAGLSXVMIIQVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-13-11-19(10-9-15(13)17)12-16(20)18-14-7-5-3-4-6-8-14/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide?
2-(4-amino-3-ethylpiperidin-1-yl)-N-cycloheptylacetamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 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-ethylpiperidin-1-yl)-N-cycloheptylacetamide is sourced from PubChem (CID 81458998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).