(3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one

C9H17NO4 — CID 101481394

IUPAC(3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one
SMILESCCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O
InChIInChI=1S/C9H17NO4/c1-2-3-4-10-5-6(11)7(12)8(13)9(10)14/h6-8,11-13H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyARXCYPVZALWGFA-BWZBUEFSSA-N
MW203.24 g/mol
LogP-1.29
Rot. Bonds3

About (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one

(3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one (PubChem CID 101481394) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one
PubChem CID101481394
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one
SMILESCCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O
InChIInChI=1S/C9H17NO4/c1-2-3-4-10-5-6(11)7(12)8(13)9(10)14/h6-8,11-13H,2-5H2,1H3/t6-,7-,8-/m1/s1
InChIKeyARXCYPVZALWGFA-BWZBUEFSSA-N
XLogP-1.29
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one
CID 44566015
(3R,4S,5S,6R)-3,4,5,6-tetrahydroxy-1-(6-hydroxyhexyl)azepan-2-one
CID 57338756
3-hydroxy-1-pentylpyrrolidin-2-one
CID 117014185
1,3-dibutylimidazolidin-2-one
CID 20887
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1-butyl-4-hydroxypiperidin-2-one
CID 117013970
2-[(3R,4R)-1-butyl-4-methyl-2-oxopyrrolidin-3-yl]-N-methylacetamide
CID 46902924
CID 159316177
CID 159316177
1-butyl-2-oxoimidazolidine-4-carboxylic acid
CID 54048507
1-butyl-3-fluoropyrrolidin-2-one
CID 45088613
(3R,4R)-3,4-dihydroxy-1-octylpyrrolidine-2,5-dione
CID 14669715
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one?
The IUPAC name of (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one (CID 101481394) is (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one.
What is the SMILES notation for (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one?
The canonical SMILES for (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one is CCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O.
What is the InChIKey of (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one?
The InChIKey is ARXCYPVZALWGFA-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H17NO4/c1-2-3-4-10-5-6(11)7(12)8(13)9(10)14/h6-8,11-13H,2-5H2,1H3/t6-,7-,8-/m1/s1.
What are the key properties of (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one?
(3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one has a molecular weight of 203.24 g/mol, XLogP of -1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one is sourced from PubChem (CID 101481394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).