3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one

C12H24N2O — CID 59011431

IUPAC3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
SMILESCNC(C(=O)N1CCCC(C)C1)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)11(13-4)12(15)14-7-5-6-10(3)8-14/h9-11,13H,5-8H2,1-4H3
InChIKeyMHNLUGJLKWJFTH-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.49
Rot. Bonds3

About 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one

3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one (PubChem CID 59011431) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
PubChem CID59011431
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
SMILESCNC(C(=O)N1CCCC(C)C1)C(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)11(13-4)12(15)14-7-5-6-10(3)8-14/h9-11,13H,5-8H2,1-4H3
InChIKeyMHNLUGJLKWJFTH-UHFFFAOYSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 7063314
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
3,5-dimethoxy-N-[(2S)-3-methyl-1-[(3R)-3-methylpiperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 33235124
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 79159951
3-methyl-2-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838021
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
1-(3-methylpiperidin-1-yl)-2-sulfanylbutan-1-one
CID 126990175
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 104683408
N-[(2S)-3-methyl-1-[(3S)-3-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]acetamide
CID 31006518
3-methylpiperidine-1-carboxylic acid
CID 22047728
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one (CID 59011431) is 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one is CNC(C(=O)N1CCCC(C)C1)C(C)C.
What is the InChIKey of 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one?
The InChIKey is MHNLUGJLKWJFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)11(13-4)12(15)14-7-5-6-10(3)8-14/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one?
3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 59011431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).