3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide

C13H27N3O — CID 83021752

IUPAC3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide
SMILESCCC(CN)CC(=O)NN1C(C)CCCC1C
InChIInChI=1S/C13H27N3O/c1-4-12(9-14)8-13(17)15-16-10(2)6-5-7-11(16)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyWCWKQGSGTCBUQY-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.66
Rot. Bonds5

About 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide

3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide (PubChem CID 83021752) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide
PubChem CID83021752
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide
SMILESCCC(CN)CC(=O)NN1C(C)CCCC1C
InChIInChI=1S/C13H27N3O/c1-4-12(9-14)8-13(17)15-16-10(2)6-5-7-11(16)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyWCWKQGSGTCBUQY-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide (CID 83021752) is 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide is CCC(CN)CC(=O)NN1C(C)CCCC1C.
What is the InChIKey of 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide?
The InChIKey is WCWKQGSGTCBUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-12(9-14)8-13(17)15-16-10(2)6-5-7-11(16)3/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide?
3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide has a molecular weight of 241.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)pentanamide is sourced from PubChem (CID 83021752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).