[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C19H23NO5 — CID 56796149

IUPAC[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1cccc(OC)c1OC1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C19H23NO5/c1-13-15(9-12-24-13)19(21)20-10-7-14(8-11-20)25-18-16(22-2)5-4-6-17(18)23-3/h4-6,9,12,14H,7-8,10-11H2,1-3H3
InChIKeyXALUGNWUTOCYFX-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.29
Rot. Bonds5

About [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 56796149) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID56796149
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Name[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1cccc(OC)c1OC1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C19H23NO5/c1-13-15(9-12-24-13)19(21)20-10-7-14(8-11-20)25-18-16(22-2)5-4-6-17(18)23-3/h4-6,9,12,14H,7-8,10-11H2,1-3H3
InChIKeyXALUGNWUTOCYFX-UHFFFAOYSA-N
XLogP3.29
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95573565
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
2-[4-(2,6-dimethoxyphenoxy)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975654
[4-(2-bromoethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700857
[4-(2-chloroethoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 82700996
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
(2-methylfuran-3-yl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46655883
[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 51104236
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 56796149) is [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is COc1cccc(OC)c1OC1CCN(C(=O)c2ccoc2C)CC1.
What is the InChIKey of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is XALUGNWUTOCYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-13-15(9-12-24-13)19(21)20-10-7-14(8-11-20)25-18-16(22-2)5-4-6-17(18)23-3/h4-6,9,12,14H,7-8,10-11H2,1-3H3.
What are the key properties of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 345.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 56796149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).