4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one

C11H22N2O — CID 60841501

IUPAC4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
SMILESCNCCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C11H22N2O/c1-10-5-4-8-13(9-10)11(14)6-3-7-12-2/h10,12H,3-9H2,1-2H3
InChIKeyXOVCSKRMFPDHRD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds4

About 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one

4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one (PubChem CID 60841501) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
PubChem CID60841501
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one
SMILESCNCCCC(=O)N1CCCC(C)C1
InChIInChI=1S/C11H22N2O/c1-10-5-4-8-13(9-10)11(14)6-3-7-12-2/h10,12H,3-9H2,1-2H3
InChIKeyXOVCSKRMFPDHRD-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-(methylamino)butan-1-one
CID 63151718
4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
1-(3,5-dimethylpiperidin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119671954
1-[4-(methylamino)butanoyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763223
1-(3-hydroxy-4-methylpiperidin-1-yl)-4-(methylamino)butan-1-one
CID 102957222
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-(methylamino)butan-1-one
CID 54924244
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
1-[4-(methylamino)butanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 54873297
8-(methylamino)-1-(4-methylpiperidin-1-yl)octan-1-one
CID 143122837
N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 94809178
4-(methylamino)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119892528
4-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 114536826

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one (CID 60841501) is 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one is CNCCCC(=O)N1CCCC(C)C1.
What is the InChIKey of 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one?
The InChIKey is XOVCSKRMFPDHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-10-5-4-8-13(9-10)11(14)6-3-7-12-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one?
4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-(3-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 60841501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).