2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide

C13H26N2O — CID 47012774

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CC(C)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-5-6-14-13(16)12(4)15-8-10(2)7-11(3)9-15/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyFEFAUEDXNZKKOQ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide

2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide (PubChem CID 47012774) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide
PubChem CID47012774
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CC(C)CC(C)C1
InChIInChI=1S/C13H26N2O/c1-5-6-14-13(16)12(4)15-8-10(2)7-11(3)9-15/h10-12H,5-9H2,1-4H3,(H,14,16)
InChIKeyFEFAUEDXNZKKOQ-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide (CID 47012774) is 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)N1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide?
The InChIKey is FEFAUEDXNZKKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-14-13(16)12(4)15-8-10(2)7-11(3)9-15/h10-12H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide?
2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 47012774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).