(6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one

C15H29NO3 — CID 143234962

IUPAC(6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one
SMILESCCCOCC(O)C[C@H](C)[C@H]1CCCC(=O)N1CC
InChIInChI=1S/C15H29NO3/c1-4-9-19-11-13(17)10-12(3)14-7-6-8-15(18)16(14)5-2/h12-14,17H,4-11H2,1-3H3/t12-,13?,14+/m0/s1
InChIKeyILMYDJWBKGEALI-SMEJFCCLSA-N
MW271.40 g/mol
LogP2.20
Rot. Bonds8

About (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one

(6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one (PubChem CID 143234962) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one
PubChem CID143234962
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name(6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one
SMILESCCCOCC(O)C[C@H](C)[C@H]1CCCC(=O)N1CC
InChIInChI=1S/C15H29NO3/c1-4-9-19-11-13(17)10-12(3)14-7-6-8-15(18)16(14)5-2/h12-14,17H,4-11H2,1-3H3/t12-,13?,14+/m0/s1
InChIKeyILMYDJWBKGEALI-SMEJFCCLSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]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

4-[Hydroxy(oxan-2-yl)methyl]-1-propan-2-ylpyrrolidin-2-one
CID 21331358
7-[(2R)-2-(3-hydroxy-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 58804758
7-[(2R)-2-(3-hydroxy-3-methyl-4-propoxybutyl)-6-oxopiperidin-1-yl]heptanoic acid
CID 59654217
(8R)-6-hydroxy-2-propan-2-yl-1-azabicyclo[6.3.1]dodecan-11-one
CID 177058014
1-[5-(Hydroxymethyl)-2-methylpiperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 109880115

Frequently Asked Questions

What is the IUPAC name of (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one?
The IUPAC name of (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one (CID 143234962) is (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one.
What is the SMILES notation for (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one?
The canonical SMILES for (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one is CCCOCC(O)C[C@H](C)[C@H]1CCCC(=O)N1CC.
What is the InChIKey of (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one?
The InChIKey is ILMYDJWBKGEALI-SMEJFCCLSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-9-19-11-13(17)10-12(3)14-7-6-8-15(18)16(14)5-2/h12-14,17H,4-11H2,1-3H3/t12-,13?,14+/m0/s1.
What are the key properties of (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one?
(6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one has a molecular weight of 271.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-ethyl-6-[(2S)-4-hydroxy-5-propoxypentan-2-yl]piperidin-2-one is sourced from PubChem (CID 143234962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).