[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone

C19H23NO4 — CID 891661

IUPAC[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C19H23NO4/c1-2-22-15-6-8-16(9-7-15)23-14-17-10-11-18(24-17)19(21)20-12-4-3-5-13-20/h6-11H,2-5,12-14H2,1H3
InChIKeyQMGIRJRALLTTJE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.88
Rot. Bonds6

About [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone

[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone (PubChem CID 891661) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
PubChem CID891661
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
SMILESCCOc1ccc(OCc2ccc(C(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C19H23NO4/c1-2-22-15-6-8-16(9-7-15)23-14-17-10-11-18(24-17)19(21)20-12-4-3-5-13-20/h6-11H,2-5,12-14H2,1H3
InChIKeyQMGIRJRALLTTJE-UHFFFAOYSA-N
XLogP3.88
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N,N-diethyl-2-furamide
CID 717151
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
[5-(4-Isopropyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 717029
1-[4-(2-Furoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 750519
Pyrrolidin-1-yl-[5-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methanone
CID 756940
5-[(4-ethoxyphenoxy)methyl]-N-isopropyl-2-furamide
CID 892168
[5-(4-Propyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1091762
N-[2-(4-butoxyphenoxy)ethyl]furan-2-carboxamide
CID 2305621
Phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 3758798
(5-((2-Bromophenoxy)methyl)furan-2-yl)(2,6-dimethylmorpholino)methanone
CID 2942175
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
Morpholin-4-yl-(5-m-tolyloxymethyl-furan-2-yl)-methanone
CID 6459121

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone (CID 891661) is [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone is CCOc1ccc(OCc2ccc(C(=O)N3CCCCC3)o2)cc1.
What is the InChIKey of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone?
The InChIKey is QMGIRJRALLTTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-2-22-15-6-8-16(9-7-15)23-14-17-10-11-18(24-17)19(21)20-12-4-3-5-13-20/h6-11H,2-5,12-14H2,1H3.
What are the key properties of [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone?
[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone has a molecular weight of 329.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 891661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).