4-(1-acetylpiperidin-4-yl)butanoic acid

C11H19NO3 — CID 10059069

IUPAC4-(1-acetylpiperidin-4-yl)butanoic acid
SMILESCC(=O)N1CCC(CCCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-7-5-10(6-8-12)3-2-4-11(14)15/h10H,2-8H2,1H3,(H,14,15)
InChIKeyCITUWYHBPULXEF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds4

About 4-(1-acetylpiperidin-4-yl)butanoic acid

4-(1-acetylpiperidin-4-yl)butanoic acid (PubChem CID 10059069) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(1-acetylpiperidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-acetylpiperidin-4-yl)butanoic acid
PubChem CID10059069
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(1-acetylpiperidin-4-yl)butanoic acid
SMILESCC(=O)N1CCC(CCCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-7-5-10(6-8-12)3-2-4-11(14)15/h10H,2-8H2,1H3,(H,14,15)
InChIKeyCITUWYHBPULXEF-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylpiperidin-4-yl)butanoic acid?
The IUPAC name of 4-(1-acetylpiperidin-4-yl)butanoic acid (CID 10059069) is 4-(1-acetylpiperidin-4-yl)butanoic acid.
What is the SMILES notation for 4-(1-acetylpiperidin-4-yl)butanoic acid?
The canonical SMILES for 4-(1-acetylpiperidin-4-yl)butanoic acid is CC(=O)N1CCC(CCCC(=O)O)CC1.
What is the InChIKey of 4-(1-acetylpiperidin-4-yl)butanoic acid?
The InChIKey is CITUWYHBPULXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(13)12-7-5-10(6-8-12)3-2-4-11(14)15/h10H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-(1-acetylpiperidin-4-yl)butanoic acid?
4-(1-acetylpiperidin-4-yl)butanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylpiperidin-4-yl)butanoic acid is sourced from PubChem (CID 10059069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).