2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid

C11H19NO5 — CID 63869728

IUPAC2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
SMILESCOCCC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H19NO5/c1-16-7-4-10(13)12-5-2-9(3-6-12)17-8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyZPPYFEPBWGHLER-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.12
Rot. Bonds6

About 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid

2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63869728) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63869728
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
SMILESCOCCC(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H19NO5/c1-16-7-4-10(13)12-5-2-9(3-6-12)17-8-11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyZPPYFEPBWGHLER-UHFFFAOYSA-N
XLogP0.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733
3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]oxypropanoic acid
CID 63875309
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303
2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
CID 82851206
2-[1-[2-methoxyethyl(propan-2-yl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 82939729
2-[1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876279
2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]oxyacetic acid
CID 104564872
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid
CID 65065379
1-[4-(2-aminoethoxy)piperidin-1-yl]-4-methoxybutan-1-one
CID 82701031

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid (CID 63869728) is 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid is COCCC(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is ZPPYFEPBWGHLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-16-7-4-10(13)12-5-2-9(3-6-12)17-8-11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 245.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63869728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).