4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

C14H24N2O3 — CID 19358571

IUPAC4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c17-13(4-5-14(18)19)16-10-6-12(7-11-16)15-8-2-1-3-9-15/h12H,1-11H2,(H,18,19)
InChIKeyPVJXJWIOAVJWJR-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.33
Rot. Bonds4

About 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (PubChem CID 19358571) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
PubChem CID19358571
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESO=C(O)CCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H24N2O3/c17-13(4-5-14(18)19)16-10-6-12(7-11-16)15-8-2-1-3-9-15/h12H,1-11H2,(H,18,19)
InChIKeyPVJXJWIOAVJWJR-UHFFFAOYSA-N
XLogP1.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (CID 19358571) is 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is O=C(O)CCC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The InChIKey is PVJXJWIOAVJWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(4-5-14(18)19)16-10-6-12(7-11-16)15-8-2-1-3-9-15/h12H,1-11H2,(H,18,19).
What are the key properties of 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 19358571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).