1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid

C14H24N2O4 — CID 83213406

IUPAC1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCC2CCCCN2)CC1
InChIInChI=1S/C14H24N2O4/c17-13(10-20-9-12-3-1-2-6-15-12)16-7-4-11(5-8-16)14(18)19/h11-12,15H,1-10H2,(H,18,19)
InChIKeyYZMHKQJOKLGRLD-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.47
Rot. Bonds5

About 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid

1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 83213406) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID83213406
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCC2CCCCN2)CC1
InChIInChI=1S/C14H24N2O4/c17-13(10-20-9-12-3-1-2-6-15-12)16-7-4-11(5-8-16)14(18)19/h11-12,15H,1-10H2,(H,18,19)
InChIKeyYZMHKQJOKLGRLD-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid (CID 83213406) is 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COCC2CCCCN2)CC1.
What is the InChIKey of 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is YZMHKQJOKLGRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-13(10-20-9-12-3-1-2-6-15-12)16-7-4-11(5-8-16)14(18)19/h11-12,15H,1-10H2,(H,18,19).
What are the key properties of 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidin-2-ylmethoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 83213406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).