2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid

C14H25N3O4 — CID 63876637

IUPAC2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C14H25N3O4/c18-13(19)11-21-12-3-8-17(9-4-12)14(20)15-5-10-16-6-1-2-7-16/h12H,1-11H2,(H,15,20)(H,18,19)
InChIKeyIEENQUAWPVDDOC-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.36
Rot. Bonds6

About 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid

2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63876637) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63876637
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C14H25N3O4/c18-13(19)11-21-12-3-8-17(9-4-12)14(20)15-5-10-16-6-1-2-7-16/h12H,1-11H2,(H,15,20)(H,18,19)
InChIKeyIEENQUAWPVDDOC-UHFFFAOYSA-N
XLogP0.36
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid (CID 63876637) is 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)NCCN2CCCC2)CC1.
What is the InChIKey of 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is IEENQUAWPVDDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c18-13(19)11-21-12-3-8-17(9-4-12)14(20)15-5-10-16-6-1-2-7-16/h12H,1-11H2,(H,15,20)(H,18,19).
What are the key properties of 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyrrolidin-1-ylethylcarbamoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63876637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).