3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide

C12H23N3O2 — CID 51728561

IUPAC3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C12H23N3O2/c1-9-6-10(2)8-15(7-9)5-4-11(16)14-12(17)13-3/h9-10H,4-8H2,1-3H3,(H2,13,14,16,17)/t9-,10+
InChIKeyAMIQGBPYRCEEPY-AOOOYVTPSA-N
MW241.33 g/mol
LogP0.81
Rot. Bonds3

About 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide

3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 51728561) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID51728561
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCN1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C12H23N3O2/c1-9-6-10(2)8-15(7-9)5-4-11(16)14-12(17)13-3/h9-10H,4-8H2,1-3H3,(H2,13,14,16,17)/t9-,10+
InChIKeyAMIQGBPYRCEEPY-AOOOYVTPSA-N
XLogP0.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

3-(3-amino-5-methylpiperidin-1-yl)-N-carbamoylpropanamide
CID 79994371
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide;hydrochloride
CID 119905056
1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-3-carboxylic acid
CID 43440872
methyl 1-[3-(methylcarbamoylamino)-3-oxopropyl]piperidine-4-carboxylate
CID 60728436
3-[4-(1-aminoethyl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 55216877
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548
3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(methylcarbamoyl)propanamide
CID 63770145
3-(3-hydroxyazetidin-1-yl)-N-methylpropanamide
CID 63282149
3-(3-amino-5-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79994375
N-(2-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 740080

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide (CID 51728561) is 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCN1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is AMIQGBPYRCEEPY-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9-6-10(2)8-15(7-9)5-4-11(16)14-12(17)13-3/h9-10H,4-8H2,1-3H3,(H2,13,14,16,17)/t9-,10+.
What are the key properties of 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide?
3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 51728561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).