2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid

C15H23NO3 — CID 79606610

IUPAC2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid
SMILESCc1cc(C(C)N2CCC(CC(=O)O)CC2)c(C)o1
InChIInChI=1S/C15H23NO3/c1-10-8-14(12(3)19-10)11(2)16-6-4-13(5-7-16)9-15(17)18/h8,11,13H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyXRRFUDCJCCOLCR-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.14
Rot. Bonds4

About 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid

2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid (PubChem CID 79606610) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid
PubChem CID79606610
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid
SMILESCc1cc(C(C)N2CCC(CC(=O)O)CC2)c(C)o1
InChIInChI=1S/C15H23NO3/c1-10-8-14(12(3)19-10)11(2)16-6-4-13(5-7-16)9-15(17)18/h8,11,13H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyXRRFUDCJCCOLCR-UHFFFAOYSA-N
XLogP3.14
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79609925
2-[1-[1-(2-chloro-4-fluorophenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606465
3-[1-(2,5-dimethylfuran-3-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115313815
1-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61205990
2-[1-[1-(5-bromothiophen-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606534
2-[1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]acetic acid
CID 79606170
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
2-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069876
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106979397
3-[1-[1-(2,5-dihydroxyphenyl)ethyl]piperidin-4-yl]propanoic acid
CID 65062883

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid (CID 79606610) is 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid is Cc1cc(C(C)N2CCC(CC(=O)O)CC2)c(C)o1.
What is the InChIKey of 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is XRRFUDCJCCOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-8-14(12(3)19-10)11(2)16-6-4-13(5-7-16)9-15(17)18/h8,11,13H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid?
2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 265.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,5-dimethylfuran-3-yl)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).