(6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one

C9H17NO3 — CID 135080249

IUPAC(6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one
SMILESCC[C@@H](O)[C@@H]1CCCC(=O)N1OC
InChIInChI=1S/C9H17NO3/c1-3-8(11)7-5-4-6-9(12)10(7)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyNERGZBWNVHTYPZ-JGVFFNPUSA-N
MW187.24 g/mol
LogP0.70
Rot. Bonds3

About (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one

(6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one (PubChem CID 135080249) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one.

Molecular Properties

Compound Name(6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one
PubChem CID135080249
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one
SMILESCC[C@@H](O)[C@@H]1CCCC(=O)N1OC
InChIInChI=1S/C9H17NO3/c1-3-8(11)7-5-4-6-9(12)10(7)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyNERGZBWNVHTYPZ-JGVFFNPUSA-N
XLogP0.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-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

(6R)-6-[(1R)-1-hydroxyhexyl]piperidin-2-one
CID 66573750
(6S)-6-[(1S)-1-hydroxypropyl]-1-methoxypiperidin-2-one
CID 101497217
(6R)-6-[(1R)-1-hydroxypropyl]piperidin-2-one
CID 130891776
6-Heptyl-5-hydroxy-1-octylpiperidin-2-one
CID 54058296
1-[2-(Hydroxymethyl)piperidin-1-yl]dodecan-1-one
CID 57792175
(6R)-1-heptyl-6-(hydroxymethyl)piperidin-2-one
CID 58635308
(6R)-1-(7-hydroxyheptyl)-6-(3-hydroxyoctyl)piperidin-2-one
CID 58804757
(6R)-1-heptyl-6-(3-hydroxypentyl)piperidin-2-one
CID 59793819
7-[(2R)-2-(3-hydroxyoctyl)-6-oxopiperidin-1-yl]-N-methoxy-N-methylheptanamide
CID 60131268
6-(Hydroxymethyl)-1-propan-2-ylpiperidin-2-one
CID 129981238
1-[2-(Hydroxymethyl)piperidin-1-yl]octadecan-1-one
CID 139843230
N-ethyl-N,2-dihydroxytridecanamide
CID 174289903

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one?
The IUPAC name of (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one (CID 135080249) is (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one.
What is the SMILES notation for (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one?
The canonical SMILES for (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one is CC[C@@H](O)[C@@H]1CCCC(=O)N1OC.
What is the InChIKey of (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one?
The InChIKey is NERGZBWNVHTYPZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-8(11)7-5-4-6-9(12)10(7)13-2/h7-8,11H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one?
(6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one has a molecular weight of 187.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(1R)-1-hydroxypropyl]-1-methoxypiperidin-2-one is sourced from PubChem (CID 135080249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).