3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid

C14H18ClNO4 — CID 81046996

IUPAC3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C14H18ClNO4/c1-9(7-13(17)18)10-3-2-6-16(8-10)14(19)11-4-5-12(15)20-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyULCHCSNWEUBMRP-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.90
Rot. Bonds4

About 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid

3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid (PubChem CID 81046996) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid
PubChem CID81046996
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)c2ccc(Cl)o2)C1
InChIInChI=1S/C14H18ClNO4/c1-9(7-13(17)18)10-3-2-6-16(8-10)14(19)11-4-5-12(15)20-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,17,18)
InChIKeyULCHCSNWEUBMRP-UHFFFAOYSA-N
XLogP2.90
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81046489
(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(5-chlorofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492575
3-[1-(2-methylbenzoyl)piperidin-3-yl]butanoic acid
CID 81043084
3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81042606
3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81042260
3-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81043427
methyl (3S)-1-(5-chlorofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919544
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81046340
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid (CID 81046996) is 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)c2ccc(Cl)o2)C1.
What is the InChIKey of 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid?
The InChIKey is ULCHCSNWEUBMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-9(7-13(17)18)10-3-2-6-16(8-10)14(19)11-4-5-12(15)20-11/h4-5,9-10H,2-3,6-8H2,1H3,(H,17,18).
What are the key properties of 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid?
3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid has a molecular weight of 299.75 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).