6-methylidene-3-piperidin-1-ylpiperidin-2-one

C11H18N2O — CID 170009456

IUPAC6-methylidene-3-piperidin-1-ylpiperidin-2-one
SMILESC=C1CCC(N2CCCCC2)C(=O)N1
InChIInChI=1S/C11H18N2O/c1-9-5-6-10(11(14)12-9)13-7-3-2-4-8-13/h10H,1-8H2,(H,12,14)
InChIKeyDVIOXIVRERGTBI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.26
Rot. Bonds1

About 6-methylidene-3-piperidin-1-ylpiperidin-2-one

6-methylidene-3-piperidin-1-ylpiperidin-2-one (PubChem CID 170009456) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-methylidene-3-piperidin-1-ylpiperidin-2-one.

Molecular Properties

Compound Name6-methylidene-3-piperidin-1-ylpiperidin-2-one
PubChem CID170009456
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name6-methylidene-3-piperidin-1-ylpiperidin-2-one
SMILESC=C1CCC(N2CCCCC2)C(=O)N1
InChIInChI=1S/C11H18N2O/c1-9-5-6-10(11(14)12-9)13-7-3-2-4-8-13/h10H,1-8H2,(H,12,14)
InChIKeyDVIOXIVRERGTBI-UHFFFAOYSA-N
XLogP1.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3-piperidin-1-ylpiperidin-2-one?
The IUPAC name of 6-methylidene-3-piperidin-1-ylpiperidin-2-one (CID 170009456) is 6-methylidene-3-piperidin-1-ylpiperidin-2-one.
What is the SMILES notation for 6-methylidene-3-piperidin-1-ylpiperidin-2-one?
The canonical SMILES for 6-methylidene-3-piperidin-1-ylpiperidin-2-one is C=C1CCC(N2CCCCC2)C(=O)N1.
What is the InChIKey of 6-methylidene-3-piperidin-1-ylpiperidin-2-one?
The InChIKey is DVIOXIVRERGTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-5-6-10(11(14)12-9)13-7-3-2-4-8-13/h10H,1-8H2,(H,12,14).
What are the key properties of 6-methylidene-3-piperidin-1-ylpiperidin-2-one?
6-methylidene-3-piperidin-1-ylpiperidin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3-piperidin-1-ylpiperidin-2-one is sourced from PubChem (CID 170009456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).