methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate

C15H23NO4 — CID 79084701

IUPACmethyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N2CCCCC2CCO)o1
InChIInChI=1S/C15H23NO4/c1-11(13-6-7-14(20-13)15(18)19-2)16-9-4-3-5-12(16)8-10-17/h6-7,11-12,17H,3-5,8-10H2,1-2H3
InChIKeyOXRAHMIULANWHZ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.36
Rot. Bonds5

About methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate

methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate (PubChem CID 79084701) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate
PubChem CID79084701
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N2CCCCC2CCO)o1
InChIInChI=1S/C15H23NO4/c1-11(13-6-7-14(20-13)15(18)19-2)16-9-4-3-5-12(16)8-10-17/h6-7,11-12,17H,3-5,8-10H2,1-2H3
InChIKeyOXRAHMIULANWHZ-UHFFFAOYSA-N
XLogP2.36
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(2-ethylpyrrolidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083753
methyl 5-[1-(4,4-dimethylazepan-1-yl)ethyl]furan-2-carboxylate
CID 79006384
methyl 5-[1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)ethyl]furan-2-carboxylate
CID 103246667
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
CID 79083634
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62053303
methyl 5-[1-(2-methyl-1,4-oxazepan-4-yl)ethyl]furan-2-carboxylate
CID 78920571
methyl 5-[1-(4-but-3-ynylpiperazin-1-yl)ethyl]furan-2-carboxylate
CID 75445710
methyl 5-[1-(4-hydroxy-4-methylazepan-1-yl)ethyl]furan-2-carboxylate
CID 107405158
methyl 5-[(1R)-1-[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]ethyl]furan-2-carboxylate
CID 97333304
methyl 5-[1-(2-methyl-3,5-dioxopiperazin-1-yl)ethyl]furan-2-carboxylate
CID 79090647
methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
CID 103251686

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate (CID 79084701) is methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N2CCCCC2CCO)o1.
What is the InChIKey of methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate?
The InChIKey is OXRAHMIULANWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(13-6-7-14(20-13)15(18)19-2)16-9-4-3-5-12(16)8-10-17/h6-7,11-12,17H,3-5,8-10H2,1-2H3.
What are the key properties of methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate?
methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate has a molecular weight of 281.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79084701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).