2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide

C12H23N3O2 — CID 51170713

IUPAC2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CC(C)CC(C)C1
InChIInChI=1S/C12H23N3O2/c1-8-5-9(2)7-15(6-8)10(3)11(16)14-12(17)13-4/h8-10H,5-7H2,1-4H3,(H2,13,14,16,17)
InChIKeyUPWABXVJWZVSMG-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.81
Rot. Bonds2

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

2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide (PubChem CID 51170713) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
PubChem CID51170713
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CC(C)CC(C)C1
InChIInChI=1S/C12H23N3O2/c1-8-5-9(2)7-15(6-8)10(3)11(16)14-12(17)13-4/h8-10H,5-7H2,1-4H3,(H2,13,14,16,17)
InChIKeyUPWABXVJWZVSMG-UHFFFAOYSA-N
XLogP0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430972
2-(3-aminoazetidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 63761122
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(methylcarbamoyl)propanamide
CID 60917515
2-(3-amino-5-methylpiperidin-1-yl)-N-methylpropanamide
CID 79993684
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 60820303
2-(4-amino-3-methylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 79867465
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
2-[4-(methylamino)piperidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119923499
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 112630269
(2R)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 99994089
(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 39257636
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide (CID 51170713) is 2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CC(C)CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide?
The InChIKey is UPWABXVJWZVSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8-5-9(2)7-15(6-8)10(3)11(16)14-12(17)13-4/h8-10H,5-7H2,1-4H3,(H2,13,14,16,17).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide?
2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 51170713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).