(3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one

C13H26N2O4 — CID 44566018

IUPAC(3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one
SMILESCCCN(CCC)CCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O
InChIInChI=1S/C13H26N2O4/c1-3-5-14(6-4-2)7-8-15-9-10(16)11(17)12(18)13(15)19/h10-12,16-18H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyDFPDVHRQVFBIIV-UTUOFQBUSA-N
MW274.36 g/mol
LogP-0.97
Rot. Bonds7

About (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one

(3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one (PubChem CID 44566018) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one
PubChem CID44566018
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name(3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one
SMILESCCCN(CCC)CCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O
InChIInChI=1S/C13H26N2O4/c1-3-5-14(6-4-2)7-8-15-9-10(16)11(17)12(18)13(15)19/h10-12,16-18H,3-9H2,1-2H3/t10-,11-,12+/m1/s1
InChIKeyDFPDVHRQVFBIIV-UTUOFQBUSA-N
XLogP-0.97
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-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

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one?
The IUPAC name of (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one (CID 44566018) is (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one.
What is the SMILES notation for (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one?
The canonical SMILES for (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one is CCCN(CCC)CCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O.
What is the InChIKey of (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one?
The InChIKey is DFPDVHRQVFBIIV-UTUOFQBUSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-3-5-14(6-4-2)7-8-15-9-10(16)11(17)12(18)13(15)19/h10-12,16-18H,3-9H2,1-2H3/t10-,11-,12+/m1/s1.
What are the key properties of (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one?
(3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one has a molecular weight of 274.36 g/mol, XLogP of -0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-1-[2-(dipropylamino)ethyl]-3,4,5-trihydroxypiperidin-2-one is sourced from PubChem (CID 44566018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).