(3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one

C10H19NO5 — CID 44566017

IUPAC(3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one
SMILESCCCOCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O
InChIInChI=1S/C10H19NO5/c1-2-4-16-5-3-11-6-7(12)8(13)9(14)10(11)15/h7-9,12-14H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyLHFCYNOLAKSFMB-HLTSFMKQSA-N
MW233.26 g/mol
LogP-1.66
Rot. Bonds5

About (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one

(3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one (PubChem CID 44566017) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one
PubChem CID44566017
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one
SMILESCCCOCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O
InChIInChI=1S/C10H19NO5/c1-2-4-16-5-3-11-6-7(12)8(13)9(14)10(11)15/h7-9,12-14H,2-6H2,1H3/t7-,8-,9+/m1/s1
InChIKeyLHFCYNOLAKSFMB-HLTSFMKQSA-N
XLogP-1.66
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one
CID 44138544
(3S,4R,5R)-3,4,5-trihydroxy-1-(6-hydroxyhexyl)piperidin-2-one
CID 44138545
(3S,4R,5S)-1-decyl-3,4,5-trihydroxypiperidin-2-one
CID 44140356
(3S,4R,5S)-3,4,5-trihydroxy-1-(6-hydroxyhexyl)piperidin-2-one
CID 44140485
(3R,4R,5S)-1-decyl-3,4,5-trihydroxypiperidin-2-one
CID 44140491
(3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one
CID 44565995
(3S,4R,5R)-3,4,5-trihydroxy-1-octylpiperidin-2-one
CID 44566012
(3S,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one
CID 44566013
(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one
CID 44566015
(3S,4R,5R)-3,4,5-trihydroxy-1-(6-propoxyhexyl)piperidin-2-one
CID 44566016
(3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one
CID 44566018
(3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one
CID 44566033

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one?
The IUPAC name of (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one (CID 44566017) is (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one.
What is the SMILES notation for (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one?
The canonical SMILES for (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one is CCCOCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O.
What is the InChIKey of (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one?
The InChIKey is LHFCYNOLAKSFMB-HLTSFMKQSA-N. The full InChI is InChI=1S/C10H19NO5/c1-2-4-16-5-3-11-6-7(12)8(13)9(14)10(11)15/h7-9,12-14H,2-6H2,1H3/t7-,8-,9+/m1/s1.
What are the key properties of (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one?
(3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one has a molecular weight of 233.26 g/mol, XLogP of -1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4,5-trihydroxy-1-(2-propoxyethyl)piperidin-2-one is sourced from PubChem (CID 44566017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).