4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid

C18H24N2O4 — CID 141186127

IUPAC4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCCOCc2cc3cnccc3o2)CC1
InChIInChI=1S/C18H24N2O4/c21-18(22)20-8-5-14(6-9-20)3-1-2-10-23-13-16-11-15-12-19-7-4-17(15)24-16/h4,7,11-12,14H,1-3,5-6,8-10,13H2,(H,21,22)
InChIKeyIHZSZVRYDBBNCQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.90
Rot. Bonds7

About 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid

4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid (PubChem CID 141186127) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid
PubChem CID141186127
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCCOCc2cc3cnccc3o2)CC1
InChIInChI=1S/C18H24N2O4/c21-18(22)20-8-5-14(6-9-20)3-1-2-10-23-13-16-11-15-12-19-7-4-17(15)24-16/h4,7,11-12,14H,1-3,5-6,8-10,13H2,(H,21,22)
InChIKeyIHZSZVRYDBBNCQ-UHFFFAOYSA-N
XLogP3.90
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid (CID 141186127) is 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CCCCOCc2cc3cnccc3o2)CC1.
What is the InChIKey of 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid?
The InChIKey is IHZSZVRYDBBNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-18(22)20-8-5-14(6-9-20)3-1-2-10-23-13-16-11-15-12-19-7-4-17(15)24-16/h4,7,11-12,14H,1-3,5-6,8-10,13H2,(H,21,22).
What are the key properties of 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid?
4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 141186127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).