4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide

C13H27N3O — CID 55155364

IUPAC4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
SMILESCNC(C)(CCN1CCC(C)(C)CC1)C(N)=O
InChIInChI=1S/C13H27N3O/c1-12(2)5-8-16(9-6-12)10-7-13(3,15-4)11(14)17/h15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyYNTGWAVRLYWGNF-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds5

About 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide

4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide (PubChem CID 55155364) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
PubChem CID55155364
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
SMILESCNC(C)(CCN1CCC(C)(C)CC1)C(N)=O
InChIInChI=1S/C13H27N3O/c1-12(2)5-8-16(9-6-12)10-7-13(3,15-4)11(14)17/h15H,5-10H2,1-4H3,(H2,14,17)
InChIKeyYNTGWAVRLYWGNF-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide
CID 63159082
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)butanamide
CID 65281752
ethyl 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 62930956
6-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)hexanoic acid
CID 65281759
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 65281849
6-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylhexanamide
CID 65281853
4-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63159226
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 62890058
4-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylbutanoic acid
CID 65282286
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanoate
CID 63159361
2-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methylbutan-1-ol
CID 64791445
2-methyl-2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103501950

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide?
The IUPAC name of 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide (CID 55155364) is 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide.
What is the SMILES notation for 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide?
The canonical SMILES for 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide is CNC(C)(CCN1CCC(C)(C)CC1)C(N)=O.
What is the InChIKey of 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide?
The InChIKey is YNTGWAVRLYWGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-12(2)5-8-16(9-6-12)10-7-13(3,15-4)11(14)17/h15H,5-10H2,1-4H3,(H2,14,17).
What are the key properties of 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide?
4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpiperidin-1-yl)-2-methyl-2-(methylamino)butanamide is sourced from PubChem (CID 55155364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).