(3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one

C17H27NO3 — CID 124777738

IUPAC(3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one
SMILESCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[C@@H](O)C(C)C)o1
InChIInChI=1S/C17H27NO3/c1-11(2)15(19)10-17(20)18-8-7-12(3)9-14(18)16-6-5-13(4)21-16/h5-6,11-12,14-15,19H,7-10H2,1-4H3/t12-,14-,15+/m0/s1
InChIKeyZIEYUBSCVLYHPA-AEGPPILISA-N
MW293.41 g/mol
LogP3.29
Rot. Bonds4

About (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one

(3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one (PubChem CID 124777738) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one
PubChem CID124777738
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one
SMILESCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[C@@H](O)C(C)C)o1
InChIInChI=1S/C17H27NO3/c1-11(2)15(19)10-17(20)18-8-7-12(3)9-14(18)16-6-5-13(4)21-16/h5-6,11-12,14-15,19H,7-10H2,1-4H3/t12-,14-,15+/m0/s1
InChIKeyZIEYUBSCVLYHPA-AEGPPILISA-N
XLogP3.29
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-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 (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one (CID 124777738) is (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one is Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C[C@@H](O)C(C)C)o1.
What is the InChIKey of (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is ZIEYUBSCVLYHPA-AEGPPILISA-N. The full InChI is InChI=1S/C17H27NO3/c1-11(2)15(19)10-17(20)18-8-7-12(3)9-14(18)16-6-5-13(4)21-16/h5-6,11-12,14-15,19H,7-10H2,1-4H3/t12-,14-,15+/m0/s1.
What are the key properties of (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one?
(3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 293.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-4-methyl-1-[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 124777738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).