5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid

C16H21NO6 — CID 154752669

IUPAC5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)N2CCC(OCC3CCCO3)CC2)c1
InChIInChI=1S/C16H21NO6/c18-15(14-8-11(9-23-14)16(19)20)17-5-3-12(4-6-17)22-10-13-2-1-7-21-13/h8-9,12-13H,1-7,10H2,(H,19,20)
InChIKeyHRALWVPHJIZKJI-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.78
Rot. Bonds5

About 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid

5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid (PubChem CID 154752669) has the molecular formula C16H21NO6 and a molecular weight of 323.34 g/mol. Its IUPAC name is 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid
PubChem CID154752669
Molecular FormulaC16H21NO6
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)N2CCC(OCC3CCCO3)CC2)c1
InChIInChI=1S/C16H21NO6/c18-15(14-8-11(9-23-14)16(19)20)17-5-3-12(4-6-17)22-10-13-2-1-7-21-13/h8-9,12-13H,1-7,10H2,(H,19,20)
InChIKeyHRALWVPHJIZKJI-UHFFFAOYSA-N
XLogP1.78
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid 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

N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
[2-(morpholin-4-ylmethyl)phenyl]-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone
CID 99814762
(2-fluoro-6-hydroxyphenyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 136532454
(2,6-dimethyl-3-pyridinyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 154794617
4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
CID 126770005
5-(1,4-thiazepane-4-carbonyl)furan-3-carboxylic acid
CID 104607264
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119341852
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)furan-3-carboxylic acid
CID 113432299
5-(3-propan-2-ylpyrrolidine-1-carbonyl)furan-3-carboxylic acid
CID 104607879
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
CID 126777502
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
CID 119662009

Frequently Asked Questions

What is the IUPAC name of 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid?
The IUPAC name of 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid (CID 154752669) is 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid is O=C(O)c1coc(C(=O)N2CCC(OCC3CCCO3)CC2)c1.
What is the InChIKey of 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid?
The InChIKey is HRALWVPHJIZKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c18-15(14-8-11(9-23-14)16(19)20)17-5-3-12(4-6-17)22-10-13-2-1-7-21-13/h8-9,12-13H,1-7,10H2,(H,19,20).
What are the key properties of 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid?
5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid has a molecular weight of 323.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid is sourced from PubChem (CID 154752669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).