1-(pyrrolidine-1-carbonyl)piperidin-4-one

C10H16N2O2 — CID 59312557

IUPAC1-(pyrrolidine-1-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C10H16N2O2/c13-9-3-7-12(8-4-9)10(14)11-5-1-2-6-11/h1-8H2
InChIKeyGMABQCMOMJVROP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.87
Rot. Bonds

About 1-(pyrrolidine-1-carbonyl)piperidin-4-one

1-(pyrrolidine-1-carbonyl)piperidin-4-one (PubChem CID 59312557) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)piperidin-4-one
PubChem CID59312557
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(pyrrolidine-1-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C10H16N2O2/c13-9-3-7-12(8-4-9)10(14)11-5-1-2-6-11/h1-8H2
InChIKeyGMABQCMOMJVROP-UHFFFAOYSA-N
XLogP0.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)piperidin-4-one?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)piperidin-4-one (CID 59312557) is 1-(pyrrolidine-1-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)piperidin-4-one is O=C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)piperidin-4-one?
The InChIKey is GMABQCMOMJVROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-9-3-7-12(8-4-9)10(14)11-5-1-2-6-11/h1-8H2.
What are the key properties of 1-(pyrrolidine-1-carbonyl)piperidin-4-one?
1-(pyrrolidine-1-carbonyl)piperidin-4-one has a molecular weight of 196.25 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)piperidin-4-one is sourced from PubChem (CID 59312557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).