3-(3-propoxypiperidin-1-yl)pentanoic acid

C13H25NO3 — CID 55148449

IUPAC3-(3-propoxypiperidin-1-yl)pentanoic acid
SMILESCCCOC1CCCN(C(CC)CC(=O)O)C1
InChIInChI=1S/C13H25NO3/c1-3-8-17-12-6-5-7-14(10-12)11(4-2)9-13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyQUBKATBHCQZWMH-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds7

About 3-(3-propoxypiperidin-1-yl)pentanoic acid

3-(3-propoxypiperidin-1-yl)pentanoic acid (PubChem CID 55148449) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(3-propoxypiperidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-(3-propoxypiperidin-1-yl)pentanoic acid
PubChem CID55148449
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name3-(3-propoxypiperidin-1-yl)pentanoic acid
SMILESCCCOC1CCCN(C(CC)CC(=O)O)C1
InChIInChI=1S/C13H25NO3/c1-3-8-17-12-6-5-7-14(10-12)11(4-2)9-13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyQUBKATBHCQZWMH-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypiperidin-1-yl)pentanoic acid?
The IUPAC name of 3-(3-propoxypiperidin-1-yl)pentanoic acid (CID 55148449) is 3-(3-propoxypiperidin-1-yl)pentanoic acid.
What is the SMILES notation for 3-(3-propoxypiperidin-1-yl)pentanoic acid?
The canonical SMILES for 3-(3-propoxypiperidin-1-yl)pentanoic acid is CCCOC1CCCN(C(CC)CC(=O)O)C1.
What is the InChIKey of 3-(3-propoxypiperidin-1-yl)pentanoic acid?
The InChIKey is QUBKATBHCQZWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-8-17-12-6-5-7-14(10-12)11(4-2)9-13(15)16/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-propoxypiperidin-1-yl)pentanoic acid?
3-(3-propoxypiperidin-1-yl)pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypiperidin-1-yl)pentanoic acid is sourced from PubChem (CID 55148449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).