3-(piperidine-1-carbonyl)piperidin-2-one

C11H18N2O2 — CID 2912701

IUPAC3-(piperidine-1-carbonyl)piperidin-2-one
SMILESO=C1NCCCC1C(=O)N1CCCCC1
InChIInChI=1S/C11H18N2O2/c14-10-9(5-4-6-12-10)11(15)13-7-2-1-3-8-13/h9H,1-8H2,(H,12,14)
InChIKeyLXSZFPUMFAXCSV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.53
Rot. Bonds1

About 3-(piperidine-1-carbonyl)piperidin-2-one

3-(piperidine-1-carbonyl)piperidin-2-one (PubChem CID 2912701) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)piperidin-2-one
PubChem CID2912701
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(piperidine-1-carbonyl)piperidin-2-one
SMILESO=C1NCCCC1C(=O)N1CCCCC1
InChIInChI=1S/C11H18N2O2/c14-10-9(5-4-6-12-10)11(15)13-7-2-1-3-8-13/h9H,1-8H2,(H,12,14)
InChIKeyLXSZFPUMFAXCSV-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 3-(piperidine-1-carbonyl)piperidin-2-one (CID 2912701) is 3-(piperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 3-(piperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 3-(piperidine-1-carbonyl)piperidin-2-one is O=C1NCCCC1C(=O)N1CCCCC1.
What is the InChIKey of 3-(piperidine-1-carbonyl)piperidin-2-one?
The InChIKey is LXSZFPUMFAXCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c14-10-9(5-4-6-12-10)11(15)13-7-2-1-3-8-13/h9H,1-8H2,(H,12,14).
What are the key properties of 3-(piperidine-1-carbonyl)piperidin-2-one?
3-(piperidine-1-carbonyl)piperidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 2912701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).