5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid

C15H23NO3 — CID 653638

IUPAC5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c(CN2CCCCC2)o1
InChIInChI=1S/C15H23NO3/c1-15(2,3)13-9-11(14(17)18)12(19-13)10-16-7-5-4-6-8-16/h9H,4-8,10H2,1-3H3,(H,17,18)
InChIKeyHZNVDRXNGMBFSF-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.26
Rot. Bonds3

About 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid

5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid (PubChem CID 653638) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid
PubChem CID653638
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c(CN2CCCCC2)o1
InChIInChI=1S/C15H23NO3/c1-15(2,3)13-9-11(14(17)18)12(19-13)10-16-7-5-4-6-8-16/h9H,4-8,10H2,1-3H3,(H,17,18)
InChIKeyHZNVDRXNGMBFSF-UHFFFAOYSA-N
XLogP3.26
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Morpholin-4-ylmethyl-2-phenyl-furan-3-carboxylic acid
CID 672004
2-Diethylaminomethyl-5-phenyl-furan-3-carboxylic acid
CID 844978
Ethyl 2-(aminomethyl)-5-(tert-butyl)furan-3-carboxylate
CID 607286
2-Piperidin-1-ylmethyl-furan-3-carboxylic acid hydrochloride
CID 2921000
5-(Tert-butyl)-2-methyl-4-(morpholinomethyl)furan-3-carboxylic acid hydrochloride
CID 2932104
1-(5-tert-Butyl-2-methyl-furan-3-carbonyl)-pyrrolidine-2-carboxylic acid
CID 596574
Cambridge id 7294040
CID 6603658
2-Methyl-5-morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 586928
5-tert-Butyl-2-methyl-4-morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 672005
2-Morpholin-4-ylmethyl-furan-3-carboxylic acid
CID 806406
5-Diethylaminomethyl-2-phenyl-furan-3-carboxylic acid hydrochloride
CID 16187039
5-Morpholin-4-ylmethyl-2-phenyl-furan-3-carboxylic acid ethyl ester
CID 653527

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid?
The IUPAC name of 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid (CID 653638) is 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid?
The canonical SMILES for 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid is CC(C)(C)c1cc(C(=O)O)c(CN2CCCCC2)o1.
What is the InChIKey of 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid?
The InChIKey is HZNVDRXNGMBFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)13-9-11(14(17)18)12(19-13)10-16-7-5-4-6-8-16/h9H,4-8,10H2,1-3H3,(H,17,18).
What are the key properties of 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid?
5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid is sourced from PubChem (CID 653638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).