[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C18H21NO4 — CID 70764451

IUPAC[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccoc3C)CC2)cc1
InChIInChI=1S/C18H21NO4/c1-13-17(9-12-22-13)18(20)19-10-7-16(8-11-19)23-15-5-3-14(21-2)4-6-15/h3-6,9,12,16H,7-8,10-11H2,1-2H3
InChIKeyDRLFIXWCUMAWAB-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.28
Rot. Bonds4

About [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 70764451) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID70764451
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1ccc(OC2CCN(C(=O)c3ccoc3C)CC2)cc1
InChIInChI=1S/C18H21NO4/c1-13-17(9-12-22-13)18(20)19-10-7-16(8-11-19)23-15-5-3-14(21-2)4-6-15/h3-6,9,12,16H,7-8,10-11H2,1-2H3
InChIKeyDRLFIXWCUMAWAB-UHFFFAOYSA-N
XLogP3.28
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 56796149
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
[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-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 70764451) is [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is COc1ccc(OC2CCN(C(=O)c3ccoc3C)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is DRLFIXWCUMAWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-17(9-12-22-13)18(20)19-10-7-16(8-11-19)23-15-5-3-14(21-2)4-6-15/h3-6,9,12,16H,7-8,10-11H2,1-2H3.
What are the key properties of [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 315.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 70764451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).