(4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one

C10H17NO3 — CID 89212312

IUPAC(4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one
SMILESCC(C)(C)C(=O)N1CC[C@H](O)C(=O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)9(14)11-5-4-7(12)8(13)6-11/h7,12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyYFJIAJOEVJBWOO-ZETCQYMHSA-N
MW199.25 g/mol
LogP0.19
Rot. Bonds

About (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one

(4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one (PubChem CID 89212312) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one.

Molecular Properties

Compound Name(4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one
PubChem CID89212312
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one
SMILESCC(C)(C)C(=O)N1CC[C@H](O)C(=O)C1
InChIInChI=1S/C10H17NO3/c1-10(2,3)9(14)11-5-4-7(12)8(13)6-11/h7,12H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyYFJIAJOEVJBWOO-ZETCQYMHSA-N
XLogP0.19
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)piperidine-4-carbonitrile
CID 39239237
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
3-chloro-1-(2,2-dimethylpropanoyl)piperidin-4-one
CID 16640476
1-(2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
CID 130670161
1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;4-(2,2-dimethylpropanoyl)piperazin-2-one
CID 160882025
4-(2,2-dimethylpropanoyl)-1-ethylpiperazin-2-one
CID 20660448
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile
CID 126750079
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one
CID 135302075
methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 777600
2,2-dimethyl-1-(4-nitropiperidin-1-yl)propan-1-one
CID 156884350
1-[4-(azepan-1-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110667071

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one?
The IUPAC name of (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one (CID 89212312) is (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one.
What is the SMILES notation for (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one?
The canonical SMILES for (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one is CC(C)(C)C(=O)N1CC[C@H](O)C(=O)C1.
What is the InChIKey of (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one?
The InChIKey is YFJIAJOEVJBWOO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)9(14)11-5-4-7(12)8(13)6-11/h7,12H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one?
(4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one has a molecular weight of 199.25 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2,2-dimethylpropanoyl)-4-hydroxypiperidin-3-one is sourced from PubChem (CID 89212312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).