2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

C16H31N3O — CID 79564242

IUPAC2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN1CCCC(C)(C)C1
InChIInChI=1S/C16H31N3O/c1-15(2)8-5-10-19(12-15)11-7-13-6-4-9-16(13,18-3)14(17)20/h13,18H,4-12H2,1-3H3,(H2,17,20)
InChIKeyFKLXCMLRIYECAU-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.74
Rot. Bonds5

About 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide

2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79564242) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79564242
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCN1CCCC(C)(C)C1
InChIInChI=1S/C16H31N3O/c1-15(2)8-5-10-19(12-15)11-7-13-6-4-9-16(13,18-3)14(17)20/h13,18H,4-12H2,1-3H3,(H2,17,20)
InChIKeyFKLXCMLRIYECAU-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 79564242) is 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCN1CCCC(C)(C)C1.
What is the InChIKey of 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is FKLXCMLRIYECAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-15(2)8-5-10-19(12-15)11-7-13-6-4-9-16(13,18-3)14(17)20/h13,18H,4-12H2,1-3H3,(H2,17,20).
What are the key properties of 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79564242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).