[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone

C18H21NO4 — CID 1084341

IUPAC[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCCCC2)o1
InChIInChI=1S/C18H21NO4/c1-21-15-7-3-4-8-16(15)22-13-14-9-10-17(23-14)18(20)19-11-5-2-6-12-19/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyJFMOEPXFVFQNNI-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.49
Rot. Bonds5

About [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone

[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone (PubChem CID 1084341) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
PubChem CID1084341
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1OCc1ccc(C(=O)N2CCCCC2)o1
InChIInChI=1S/C18H21NO4/c1-21-15-7-3-4-8-16(15)22-13-14-9-10-17(23-14)18(20)19-11-5-2-6-12-19/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyJFMOEPXFVFQNNI-UHFFFAOYSA-N
XLogP3.49
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 125415613
[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55762699
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 1084331
azepan-1-yl-[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methanone
CID 35524316
tert-butyl N-[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]carbamate
CID 55870043
1-[3-fluoro-4-[4-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55760106
[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 19579214
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914855
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665248
5-[(2-methoxyphenoxy)methyl]-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 3542536
tert-butyl 4-[5-(naphthalen-1-yloxymethyl)furan-2-carbonyl]-1,4-diazepane-1-carboxylate
CID 95752648

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone (CID 1084341) is [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone is COc1ccccc1OCc1ccc(C(=O)N2CCCCC2)o1.
What is the InChIKey of [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is JFMOEPXFVFQNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-7-3-4-8-16(15)22-13-14-9-10-17(23-14)18(20)19-11-5-2-6-12-19/h3-4,7-10H,2,5-6,11-13H2,1H3.
What are the key properties of [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone?
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 315.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 1084341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).