3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide

C13H27N3O — CID 114499150

IUPAC3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide
SMILESCNC1CCN(CCC(=O)NC(C)C)CC1C
InChIInChI=1S/C13H27N3O/c1-10(2)15-13(17)6-8-16-7-5-12(14-4)11(3)9-16/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyIECGXDZPEPVJDI-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds5

About 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide

3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 114499150) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide
PubChem CID114499150
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide
SMILESCNC1CCN(CCC(=O)NC(C)C)CC1C
InChIInChI=1S/C13H27N3O/c1-10(2)15-13(17)6-8-16-7-5-12(14-4)11(3)9-16/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyIECGXDZPEPVJDI-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910883
3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide
CID 114511182
3-[3-methyl-4-(methylamino)piperidin-1-yl]propan-1-ol
CID 114499058
2-[3-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 114499072
N-cyclohexyl-2-[3-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 114499077
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
(3R,4S)-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 94244956
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983
N-methyl-3-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]propanamide
CID 96566413
N-cyclopropyl-3-[3-methyl-4-(propylamino)piperidin-1-yl]propanamide
CID 114499450
ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate
CID 60750746
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide (CID 114499150) is 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide is CNC1CCN(CCC(=O)NC(C)C)CC1C.
What is the InChIKey of 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is IECGXDZPEPVJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)15-13(17)6-8-16-7-5-12(14-4)11(3)9-16/h10-12,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide?
3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 114499150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).