5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid

C11H19NO3 — CID 752697

IUPAC5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
SMILESCC1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-9-5-7-12(8-6-9)10(13)3-2-4-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyQXFCXAYSDLBXPG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds4

About 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid

5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid (PubChem CID 752697) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
PubChem CID752697
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
SMILESCC1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C11H19NO3/c1-9-5-7-12(8-6-9)10(13)3-2-4-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyQXFCXAYSDLBXPG-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 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid (CID 752697) is 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid is CC1CCN(C(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
The InChIKey is QXFCXAYSDLBXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9-5-7-12(8-6-9)10(13)3-2-4-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid?
5-(4-methylpiperidin-1-yl)-5-oxopentanoic 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 5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 752697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).