4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide

C13H27N3O — CID 66428450

IUPAC4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCC(C)CC1
InChIInChI=1S/C13H27N3O/c1-3-6-15-13(17)9-12(10-14)16-7-4-11(2)5-8-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyYAMVNIPWLAXUJF-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide

4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide (PubChem CID 66428450) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
PubChem CID66428450
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCC(C)CC1
InChIInChI=1S/C13H27N3O/c1-3-6-15-13(17)9-12(10-14)16-7-4-11(2)5-8-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyYAMVNIPWLAXUJF-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
CID 66428881
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427407
(2R)-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 30081942
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-amino-N-propylbutanamide
CID 82747117
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide
CID 66429305
4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
CID 66427386

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide (CID 66428450) is 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide is CCCNC(=O)CC(CN)N1CCC(C)CC1.
What is the InChIKey of 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide?
The InChIKey is YAMVNIPWLAXUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-6-15-13(17)9-12(10-14)16-7-4-11(2)5-8-16/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide?
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide is sourced from PubChem (CID 66428450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).