(3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide

C12H24N2O2 — CID 118882611

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide
SMILESC[C@H](CCN1CCCCC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H24N2O2/c1-10(11(15)9-12(13)16)5-8-14-6-3-2-4-7-14/h10-11,15H,2-9H2,1H3,(H2,13,16)/t10-,11+/m1/s1
InChIKeyJFDCEBKESVGARA-MNOVXSKESA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds6

About (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide

(3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide (PubChem CID 118882611) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide
PubChem CID118882611
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide
SMILESC[C@H](CCN1CCCCC1)[C@@H](O)CC(N)=O
InChIInChI=1S/C12H24N2O2/c1-10(11(15)9-12(13)16)5-8-14-6-3-2-4-7-14/h10-11,15H,2-9H2,1H3,(H2,13,16)/t10-,11+/m1/s1
InChIKeyJFDCEBKESVGARA-MNOVXSKESA-N
XLogP0.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide (CID 118882611) is (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide is C[C@H](CCN1CCCCC1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide?
The InChIKey is JFDCEBKESVGARA-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(11(15)9-12(13)16)5-8-14-6-3-2-4-7-14/h10-11,15H,2-9H2,1H3,(H2,13,16)/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide has a molecular weight of 228.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide is sourced from PubChem (CID 118882611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).