4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide

C14H29N3O — CID 66427408

IUPAC4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCC(C)(C)C1
InChIInChI=1S/C14H29N3O/c1-4-7-16-13(18)9-12(10-15)17-8-5-6-14(2,3)11-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeySPJILIQIXCBIOS-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.35
Rot. Bonds6

About 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide

4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide (PubChem CID 66427408) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
PubChem CID66427408
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCCC(C)(C)C1
InChIInChI=1S/C14H29N3O/c1-4-7-16-13(18)9-12(10-15)17-8-5-6-14(2,3)11-17/h12H,4-11,15H2,1-3H3,(H,16,18)
InChIKeySPJILIQIXCBIOS-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(3-azaspiro[5.5]undecan-3-yl)-N-propylbutanamide
CID 66428881
4-amino-N-propyl-3-thiomorpholin-4-ylbutanamide
CID 66426330
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-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
3-amino-2-(3,3-dimethylpiperidin-1-yl)propan-1-ol
CID 104711025
4-amino-3-(2,6-dimethylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427409
4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide
CID 107391498
4-amino-N-propyl-3-(2-propylpiperidin-1-yl)butanamide
CID 83053457
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide
CID 66428466
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427407
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-amino-N-propylbutanamide
CID 82747117

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide?
The IUPAC name of 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide (CID 66427408) is 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide?
The canonical SMILES for 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide is CCCNC(=O)CC(CN)N1CCCC(C)(C)C1.
What is the InChIKey of 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide?
The InChIKey is SPJILIQIXCBIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-7-16-13(18)9-12(10-15)17-8-5-6-14(2,3)11-17/h12H,4-11,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide?
4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide has a molecular weight of 255.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide is sourced from PubChem (CID 66427408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).