2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide

C13H27N3O — CID 107163662

IUPAC2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCC1(C)CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-5-16(4)12(17)10-14-11-13(2)6-8-15(3)9-7-13/h14H,5-11H2,1-4H3
InChIKeyMVBRDPVWFOTWDE-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.79
Rot. Bonds5

About 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide

2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide (PubChem CID 107163662) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide
PubChem CID107163662
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CNCC1(C)CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-5-16(4)12(17)10-14-11-13(2)6-8-15(3)9-7-13/h14H,5-11H2,1-4H3
InChIKeyMVBRDPVWFOTWDE-UHFFFAOYSA-N
XLogP0.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide (CID 107163662) is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CNCC1(C)CCN(C)CC1.
What is the InChIKey of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is MVBRDPVWFOTWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-16(4)12(17)10-14-11-13(2)6-8-15(3)9-7-13/h14H,5-11H2,1-4H3.
What are the key properties of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide?
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 107163662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).