4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid

C16H28N2O6 — CID 154904035

IUPAC4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CN2CCCC(O)C2)CC1.O=CO
InChIInChI=1S/C15H26N2O4.CH2O2/c1-2-15(14(20)21)5-8-17(9-6-15)13(19)11-16-7-3-4-12(18)10-16;2-1-3/h12,18H,2-11H2,1H3,(H,20,21);1H,(H,2,3)
InChIKeyONASYZPRIRVVMR-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.25
Rot. Bonds4

About 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid

4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid (PubChem CID 154904035) has the molecular formula C16H28N2O6 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid
PubChem CID154904035
Molecular FormulaC16H28N2O6
Molecular Weight344.41 g/mol
Exact Mass344.19
IUPAC Name4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid
SMILESCCC1(C(=O)O)CCN(C(=O)CN2CCCC(O)C2)CC1.O=CO
InChIInChI=1S/C15H26N2O4.CH2O2/c1-2-15(14(20)21)5-8-17(9-6-15)13(19)11-16-7-3-4-12(18)10-16;2-1-3/h12,18H,2-11H2,1H3,(H,20,21);1H,(H,2,3)
InChIKeyONASYZPRIRVVMR-UHFFFAOYSA-N
XLogP0.25
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid?
The IUPAC name of 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid (CID 154904035) is 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid.
What is the SMILES notation for 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid?
The canonical SMILES for 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid is CCC1(C(=O)O)CCN(C(=O)CN2CCCC(O)C2)CC1.O=CO.
What is the InChIKey of 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid?
The InChIKey is ONASYZPRIRVVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4.CH2O2/c1-2-15(14(20)21)5-8-17(9-6-15)13(19)11-16-7-3-4-12(18)10-16;2-1-3/h12,18H,2-11H2,1H3,(H,20,21);1H,(H,2,3).
What are the key properties of 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid?
4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid has a molecular weight of 344.41 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(3-hydroxypiperidin-1-yl)acetyl]piperidine-4-carboxylic acid;formic acid is sourced from PubChem (CID 154904035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).