2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide

C15H31N3O — CID 55256274

IUPAC2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCCCC1CNC(C)(C)C
InChIInChI=1S/C15H31N3O/c1-6-17(5)14(19)12-18-10-8-7-9-13(18)11-16-15(2,3)4/h13,16H,6-12H2,1-5H3
InChIKeySGPDFPXHIKMJNA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.71
Rot. Bonds5

About 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide

2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 55256274) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
PubChem CID55256274
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCCCC1CNC(C)(C)C
InChIInChI=1S/C15H31N3O/c1-6-17(5)14(19)12-18-10-8-7-9-13(18)11-16-15(2,3)4/h13,16H,6-12H2,1-5H3
InChIKeySGPDFPXHIKMJNA-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide (CID 55256274) is 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1CCCCC1CNC(C)(C)C.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is SGPDFPXHIKMJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-17(5)14(19)12-18-10-8-7-9-13(18)11-16-15(2,3)4/h13,16H,6-12H2,1-5H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide?
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 55256274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).