(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one

C10H20N2O — CID 135040309

IUPAC(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one
SMILESCN[C@@H](CN1CCCCC1)C(C)=O
InChIInChI=1S/C10H20N2O/c1-9(13)10(11-2)8-12-6-4-3-5-7-12/h10-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWBLJIPMDTXLGMA-JTQLQIEISA-N
MW184.28 g/mol
LogP0.65
Rot. Bonds4

About (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one

(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one (PubChem CID 135040309) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one.

Molecular Properties

Compound Name(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one
PubChem CID135040309
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one
SMILESCN[C@@H](CN1CCCCC1)C(C)=O
InChIInChI=1S/C10H20N2O/c1-9(13)10(11-2)8-12-6-4-3-5-7-12/h10-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWBLJIPMDTXLGMA-JTQLQIEISA-N
XLogP0.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Methyl-3-propionylpiperazine
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2-Fluoro-1-(1-methylpiperazin-2-yl)ethanone
CID 88635079
2,2,2-Trifluoro-1-(1-propylpiperazin-2-yl)ethanone
CID 90893706
(2S)-2-(dimethylamino)-2,3,3-trifluoro-1-piperazin-2-ylpropan-1-one
CID 91067421
1-(1-Ethylpiperazin-2-yl)-2,2,2-trifluoroethanone
CID 91588786
1-[[(3R,5S)-1-(1-fluoroethyl)-5-methylpiperidin-3-yl]amino]propan-2-one
CID 163948422
1-[2,6-Dimethyl-4-[5-(2,2,2-trifluoroethylamino)pentyl]piperazin-1-yl]propan-2-one
CID 173504430
1-(4-Fluoropiperazin-2-yl)propan-1-one
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CID 174694790

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one?
The IUPAC name of (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one (CID 135040309) is (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one.
What is the SMILES notation for (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one?
The canonical SMILES for (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one is CN[C@@H](CN1CCCCC1)C(C)=O.
What is the InChIKey of (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one?
The InChIKey is WBLJIPMDTXLGMA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(13)10(11-2)8-12-6-4-3-5-7-12/h10-11H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one?
(3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methylamino)-4-piperidin-1-ylbutan-2-one is sourced from PubChem (CID 135040309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).