3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid

C15H20N2O3 — CID 81046489

IUPAC3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C15H20N2O3/c1-11(9-14(18)19)13-3-2-8-17(10-13)15(20)12-4-6-16-7-5-12/h4-7,11,13H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyGOSLRTKBNQTWPQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.04
Rot. Bonds4

About 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid

3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid (PubChem CID 81046489) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
PubChem CID81046489
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C15H20N2O3/c1-11(9-14(18)19)13-3-2-8-17(10-13)15(20)12-4-6-16-7-5-12/h4-7,11,13H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyGOSLRTKBNQTWPQ-UHFFFAOYSA-N
XLogP2.04
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-pyridin-4-ylethyl)piperidin-3-yl]butanoic acid
CID 81046611
3-[1-(5-iodothiophene-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81046340
3-[1-(2-methylbenzoyl)piperidin-3-yl]butanoic acid
CID 81043084
3-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]butanoic acid
CID 81043427
3-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81042606
3-[1-(5-chlorofuran-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81046996
3-[1-(1-ethylpyrrole-2-carbonyl)piperidin-3-yl]butanoic acid
CID 81042260
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-(2-pyrazol-1-ylpropanoyl)piperidin-3-yl]butanoic acid
CID 81042767
3-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]butanoic acid
CID 81047506

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid (CID 81046489) is 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid?
The InChIKey is GOSLRTKBNQTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(9-14(18)19)13-3-2-8-17(10-13)15(20)12-4-6-16-7-5-12/h4-7,11,13H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid?
3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).