5-(azocane-1-carbonyl)piperidin-2-one

C13H22N2O2 — CID 112728799

IUPAC5-(azocane-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCCCC2)CN1
InChIInChI=1S/C13H22N2O2/c16-12-7-6-11(10-14-12)13(17)15-8-4-2-1-3-5-9-15/h11H,1-10H2,(H,14,16)
InChIKeyVRMKUTAXRZDZNQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.31
Rot. Bonds1

About 5-(azocane-1-carbonyl)piperidin-2-one

5-(azocane-1-carbonyl)piperidin-2-one (PubChem CID 112728799) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(azocane-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(azocane-1-carbonyl)piperidin-2-one
PubChem CID112728799
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-(azocane-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCCCC2)CN1
InChIInChI=1S/C13H22N2O2/c16-12-7-6-11(10-14-12)13(17)15-8-4-2-1-3-5-9-15/h11H,1-10H2,(H,14,16)
InChIKeyVRMKUTAXRZDZNQ-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(azocane-1-carbonyl)piperidin-2-one?
The IUPAC name of 5-(azocane-1-carbonyl)piperidin-2-one (CID 112728799) is 5-(azocane-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(azocane-1-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(azocane-1-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCCCCC2)CN1.
What is the InChIKey of 5-(azocane-1-carbonyl)piperidin-2-one?
The InChIKey is VRMKUTAXRZDZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12-7-6-11(10-14-12)13(17)15-8-4-2-1-3-5-9-15/h11H,1-10H2,(H,14,16).
What are the key properties of 5-(azocane-1-carbonyl)piperidin-2-one?
5-(azocane-1-carbonyl)piperidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocane-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 112728799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).