2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide

C13H25N3O — CID 81458982

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCCC1CN(CC(=O)N(C)C2CC2)CCC1N
InChIInChI=1S/C13H25N3O/c1-3-10-8-16(7-6-12(10)14)9-13(17)15(2)11-4-5-11/h10-12H,3-9,14H2,1-2H3
InChIKeyKZROJHIKYJKHND-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.67
Rot. Bonds4

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

2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 81458982) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID81458982
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCCC1CN(CC(=O)N(C)C2CC2)CCC1N
InChIInChI=1S/C13H25N3O/c1-3-10-8-16(7-6-12(10)14)9-13(17)15(2)11-4-5-11/h10-12H,3-9,14H2,1-2H3
InChIKeyKZROJHIKYJKHND-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide (CID 81458982) is 2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide is CCC1CN(CC(=O)N(C)C2CC2)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is KZROJHIKYJKHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-10-8-16(7-6-12(10)14)9-13(17)15(2)11-4-5-11/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide?
2-(4-amino-3-ethylpiperidin-1-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 239.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 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-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 81458982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).