(4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one

C11H21NO — CID 15315592

IUPAC(4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one
SMILESCCCC[C@@H]1NC(=O)C[C@H](C)[C@@H]1C
InChIInChI=1S/C11H21NO/c1-4-5-6-10-9(3)8(2)7-11(13)12-10/h8-10H,4-7H2,1-3H3,(H,12,13)/t8-,9-,10-/m0/s1
InChIKeyHIJAESSOBMLKMC-GUBZILKMSA-N
MW183.29 g/mol
LogP2.34
Rot. Bonds3

About (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one

(4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one (PubChem CID 15315592) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one
PubChem CID15315592
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one
SMILESCCCC[C@@H]1NC(=O)C[C@H](C)[C@@H]1C
InChIInChI=1S/C11H21NO/c1-4-5-6-10-9(3)8(2)7-11(13)12-10/h8-10H,4-7H2,1-3H3,(H,12,13)/t8-,9-,10-/m0/s1
InChIKeyHIJAESSOBMLKMC-GUBZILKMSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5-(pentylamino)piperidin-2-one
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(4R,5S)-4-butyl-5-(chloromethyl)-1,3-oxazolidin-2-one
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(4S,5S)-4,5-dimethylpyrrolidin-2-one;ethane
CID 143653948
4,5-diethylpyrrolidin-2-one
CID 66107645
1-hexyl-7-methyl-3-propyl-1,4-diazepane-2,5-dione
CID 64883007
5-(2-methylpropyl)-4-propylpyrrolidin-2-one
CID 66107021
4-hexyl-5-methylimidazolidin-2-one
CID 85446060
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Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one?
The IUPAC name of (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one (CID 15315592) is (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one.
What is the SMILES notation for (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one?
The canonical SMILES for (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one is CCCC[C@@H]1NC(=O)C[C@H](C)[C@@H]1C.
What is the InChIKey of (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one?
The InChIKey is HIJAESSOBMLKMC-GUBZILKMSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-10-9(3)8(2)7-11(13)12-10/h8-10H,4-7H2,1-3H3,(H,12,13)/t8-,9-,10-/m0/s1.
What are the key properties of (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one?
(4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one has a molecular weight of 183.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-6-butyl-4,5-dimethylpiperidin-2-one is sourced from PubChem (CID 15315592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).