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

C17H22N2O4 — CID 69325150

IUPAC4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCOCc2cc3cnccc3o2)CC1
InChIInChI=1S/C17H22N2O4/c20-17(21)19-7-4-13(5-8-19)2-1-9-22-12-15-10-14-11-18-6-3-16(14)23-15/h3,6,10-11,13H,1-2,4-5,7-9,12H2,(H,20,21)
InChIKeyGPTLXALAIVQNCO-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.51
Rot. Bonds6

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

4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid (PubChem CID 69325150) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid
PubChem CID69325150
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CCCOCc2cc3cnccc3o2)CC1
InChIInChI=1S/C17H22N2O4/c20-17(21)19-7-4-13(5-8-19)2-1-9-22-12-15-10-14-11-18-6-3-16(14)23-15/h3,6,10-11,13H,1-2,4-5,7-9,12H2,(H,20,21)
InChIKeyGPTLXALAIVQNCO-UHFFFAOYSA-N
XLogP3.51
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.51
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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Related Compounds

4-[4-(furo[3,2-c]pyridin-2-ylmethoxy)butyl]piperidine-1-carboxylic acid
CID 141186127
4-(3-pyridin-4-yloxypropyl)piperidine-1-carboxylic acid
CID 154254683
4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate
CID 11494262
4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
4-(1-benzofuran-2-yl)-1-(4-butylpiperidin-1-yl)butan-1-one
CID 69451352
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
4-[3-(4-methoxycarbonyl-2-methylphenoxy)propyl]piperidine-1-carboxylic acid
CID 141206480
4-furo[3,2-c]pyridin-2-ylbenzoic acid
CID 18617783
tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate
CID 19597717
6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
CID 146900863
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid (CID 69325150) is 4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CCCOCc2cc3cnccc3o2)CC1.
What is the InChIKey of 4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid?
The InChIKey is GPTLXALAIVQNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-17(21)19-7-4-13(5-8-19)2-1-9-22-12-15-10-14-11-18-6-3-16(14)23-15/h3,6,10-11,13H,1-2,4-5,7-9,12H2,(H,20,21).
What are the key properties of 4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid?
4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furo[3,2-c]pyridin-2-ylmethoxy)propyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69325150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).