(3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide

C13H26N2O3 — CID 118374618

IUPAC(3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide
SMILESC[C@H](CCN1CCCCC1CO)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H26N2O3/c1-10(12(17)8-13(14)18)5-7-15-6-3-2-4-11(15)9-16/h10-12,16-17H,2-9H2,1H3,(H2,14,18)/t10-,11?,12+/m1/s1
InChIKeyXCGUVBQXAUZNSC-LWALXPGCSA-N
MW258.36 g/mol
LogP0.10
Rot. Bonds7

About (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide

(3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide (PubChem CID 118374618) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide
PubChem CID118374618
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide
SMILESC[C@H](CCN1CCCCC1CO)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H26N2O3/c1-10(12(17)8-13(14)18)5-7-15-6-3-2-4-11(15)9-16/h10-12,16-17H,2-9H2,1H3,(H2,14,18)/t10-,11?,12+/m1/s1
InChIKeyXCGUVBQXAUZNSC-LWALXPGCSA-N
XLogP0.10
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide (CID 118374618) is (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide is C[C@H](CCN1CCCCC1CO)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide?
The InChIKey is XCGUVBQXAUZNSC-LWALXPGCSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(12(17)8-13(14)18)5-7-15-6-3-2-4-11(15)9-16/h10-12,16-17H,2-9H2,1H3,(H2,14,18)/t10-,11?,12+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide?
(3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide has a molecular weight of 258.36 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-6-[2-(hydroxymethyl)piperidin-1-yl]-4-methylhexanamide is sourced from PubChem (CID 118374618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).