[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone

C18H25NO3 — CID 95174845

IUPAC[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCOc1ccccc1C[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C18H25NO3/c1-21-16-8-3-2-7-15(16)12-14-6-4-10-19(13-14)18(20)17-9-5-11-22-17/h2-3,7-8,14,17H,4-6,9-13H2,1H3/t14-,17-/m0/s1
InChIKeyZEJSYFQTVWPMFL-YOEHRIQHSA-N
MW303.40 g/mol
LogP2.66
Rot. Bonds4

About [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone

[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 95174845) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID95174845
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESCOc1ccccc1C[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1
InChIInChI=1S/C18H25NO3/c1-21-16-8-3-2-7-15(16)12-14-6-4-10-19(13-14)18(20)17-9-5-11-22-17/h2-3,7-8,14,17H,4-6,9-13H2,1H3/t14-,17-/m0/s1
InChIKeyZEJSYFQTVWPMFL-YOEHRIQHSA-N
XLogP2.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone 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

[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-6-oxaspiro[2.5]octan-2-yl]methanone
CID 97220931
N-[(2-methoxyphenyl)methyl]-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 50973366
1-[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 95906930
1-[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 75375614
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95174843
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
[3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 84583530
N-ethyl-N'-[(2-methoxyphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111301252
4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097980
[(2S)-oxolan-2-yl]-[(3R)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 92900912
[(2S)-oxolan-2-yl]-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 92900914

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 95174845) is [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone is COc1ccccc1C[C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1.
What is the InChIKey of [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is ZEJSYFQTVWPMFL-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H25NO3/c1-21-16-8-3-2-7-15(16)12-14-6-4-10-19(13-14)18(20)17-9-5-11-22-17/h2-3,7-8,14,17H,4-6,9-13H2,1H3/t14-,17-/m0/s1.
What are the key properties of [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 303.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 95174845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).