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

C18H21NO4 — CID 70771871

IUPAC[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1ccccc1OC1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C18H21NO4/c1-13-15(9-12-22-13)18(20)19-10-7-14(8-11-19)23-17-6-4-3-5-16(17)21-2/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyGRZGJWOCFGCELK-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.28
Rot. Bonds4

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

[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 70771871) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID70771871
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1ccccc1OC1CCN(C(=O)c2ccoc2C)CC1
InChIInChI=1S/C18H21NO4/c1-13-15(9-12-22-13)18(20)19-10-7-14(8-11-19)23-17-6-4-3-5-16(17)21-2/h3-6,9,12,14H,7-8,10-11H2,1-2H3
InChIKeyGRZGJWOCFGCELK-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-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 56796149
[4-(4-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70764451
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70717882
[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
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
[4-(2-chloroanilino)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 51104236
[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70758566
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 1030634

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 70771871) is [4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is COc1ccccc1OC1CCN(C(=O)c2ccoc2C)CC1.
What is the InChIKey of [4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is GRZGJWOCFGCELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-15(9-12-22-13)18(20)19-10-7-14(8-11-19)23-17-6-4-3-5-16(17)21-2/h3-6,9,12,14H,7-8,10-11H2,1-2H3.
What are the key properties of [4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[4-(2-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-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 70771871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).