furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone

C18H21NO3 — CID 110411430

IUPACfuran-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccccc1OCC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H21NO3/c1-14-5-2-3-6-16(14)22-13-15-8-10-19(11-9-15)18(20)17-7-4-12-21-17/h2-7,12,15H,8-11,13H2,1H3
InChIKeyCEYLIIDIKQHGNH-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.52
Rot. Bonds4

About furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone

furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 110411430) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
PubChem CID110411430
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namefuran-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
SMILESCc1ccccc1OCC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H21NO3/c1-14-5-2-3-6-16(14)22-13-15-8-10-19(11-9-15)18(20)17-7-4-12-21-17/h2-7,12,15H,8-11,13H2,1H3
InChIKeyCEYLIIDIKQHGNH-UHFFFAOYSA-N
XLogP3.52
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(2-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110411471
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
4-[[1-(furan-2-carbonyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150573
1-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]pentan-1-one
CID 110411424
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2-methylphenoxy)acetamide
CID 3161569
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
1-(cyclopentylmethoxy)-2-methylbenzene
CID 59117156
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2360096
4-[(2-acetylphenoxy)methyl]piperidine-1-carboxylic acid
CID 68604731
N-(2-ethoxyphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108531126
1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
CID 50846376

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone (CID 110411430) is furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone is Cc1ccccc1OCC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is CEYLIIDIKQHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14-5-2-3-6-16(14)22-13-15-8-10-19(11-9-15)18(20)17-7-4-12-21-17/h2-7,12,15H,8-11,13H2,1H3.
What are the key properties of furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone?
furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110411430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).