2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid

C14H19NO4 — CID 62689381

IUPAC2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C14H19NO4/c16-13(6-5-12-4-2-8-19-12)15-7-1-3-11(10-15)9-14(17)18/h2,4,8,11H,1,3,5-7,9-10H2,(H,17,18)
InChIKeyYYWCBRXFMJDCIX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.93
Rot. Bonds5

About 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid

2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid (PubChem CID 62689381) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
PubChem CID62689381
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C14H19NO4/c16-13(6-5-12-4-2-8-19-12)15-7-1-3-11(10-15)9-14(17)18/h2,4,8,11H,1,3,5-7,9-10H2,(H,17,18)
InChIKeyYYWCBRXFMJDCIX-UHFFFAOYSA-N
XLogP1.93
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 25450628
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
1-(3-bromo-4-methylpiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 102961987
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570
5-[(3S)-1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514274
3-(furan-2-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030540
2-[1-(2-aminobenzoyl)piperidin-3-yl]acetic acid
CID 55105002

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid (CID 62689381) is 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)CCc2ccco2)C1.
What is the InChIKey of 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid?
The InChIKey is YYWCBRXFMJDCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-13(6-5-12-4-2-8-19-12)15-7-1-3-11(10-15)9-14(17)18/h2,4,8,11H,1,3,5-7,9-10H2,(H,17,18).
What are the key properties of 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid?
2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(furan-2-yl)propanoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).