[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone

C18H20ClNO3 — CID 3243500

IUPAC[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC1
InChIInChI=1S/C18H20ClNO3/c1-13-8-10-20(11-9-13)18(21)17-7-6-14(23-17)12-22-16-5-3-2-4-15(16)19/h2-7,13H,8-12H2,1H3
InChIKeyHROOUULWXOGBLV-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.38
Rot. Bonds4

About [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone

[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 3243500) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID3243500
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC1
InChIInChI=1S/C18H20ClNO3/c1-13-8-10-20(11-9-13)18(21)17-7-6-14(23-17)12-22-16-5-3-2-4-15(16)19/h2-7,13H,8-12H2,1H3
InChIKeyHROOUULWXOGBLV-UHFFFAOYSA-N
XLogP4.38
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone (CID 3243500) is [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC1.
What is the InChIKey of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is HROOUULWXOGBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-13-8-10-20(11-9-13)18(21)17-7-6-14(23-17)12-22-16-5-3-2-4-15(16)19/h2-7,13H,8-12H2,1H3.
What are the key properties of [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone?
[5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 333.82 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chlorophenoxy)methyl]furan-2-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3243500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).