1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone

C18H25NO3 — CID 119073542

IUPAC1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone
SMILESCOc1ccccc1C1CCN(C(=O)CC2CCOC2)CC1
InChIInChI=1S/C18H25NO3/c1-21-17-5-3-2-4-16(17)15-6-9-19(10-7-15)18(20)12-14-8-11-22-13-14/h2-5,14-15H,6-13H2,1H3
InChIKeyPQCZUTFJTPFOKL-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.83
Rot. Bonds4

About 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone

1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone (PubChem CID 119073542) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone
PubChem CID119073542
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone
SMILESCOc1ccccc1C1CCN(C(=O)CC2CCOC2)CC1
InChIInChI=1S/C18H25NO3/c1-21-17-5-3-2-4-16(17)15-6-9-19(10-7-15)18(20)12-14-8-11-22-13-14/h2-5,14-15H,6-13H2,1H3
InChIKeyPQCZUTFJTPFOKL-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 91761714
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648
4-(2-methoxyphenyl)oxane
CID 121009799
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
(1-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 111437303
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
1-[4-(2-methoxyphenyl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 131945662
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperidin-1-yl]ethanone
CID 91786322
N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 122559467
(2R)-2-[[4-(2-methoxyphenyl)piperidine-1-carbonyl]amino]propanoic acid
CID 131891318
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 68843498

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone (CID 119073542) is 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone is COc1ccccc1C1CCN(C(=O)CC2CCOC2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone?
The InChIKey is PQCZUTFJTPFOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-21-17-5-3-2-4-16(17)15-6-9-19(10-7-15)18(20)12-14-8-11-22-13-14/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone?
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone has a molecular weight of 303.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 119073542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).