1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one

C14H24N2O — CID 54001948

IUPAC1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCCN(CC2CCNCC2)C1=O
InChIInChI=1S/C14H24N2O/c1-2-4-13-5-3-10-16(14(13)17)11-12-6-8-15-9-7-12/h2,12-13,15H,1,3-11H2
InChIKeyKMFWDKHLVNDCNS-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.80
Rot. Bonds4

About 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one

1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one (PubChem CID 54001948) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one
PubChem CID54001948
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCCN(CC2CCNCC2)C1=O
InChIInChI=1S/C14H24N2O/c1-2-4-13-5-3-10-16(14(13)17)11-12-6-8-15-9-7-12/h2,12-13,15H,1,3-11H2
InChIKeyKMFWDKHLVNDCNS-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one?
The IUPAC name of 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one (CID 54001948) is 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one is C=CCC1CCCN(CC2CCNCC2)C1=O.
What is the InChIKey of 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one?
The InChIKey is KMFWDKHLVNDCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-2-4-13-5-3-10-16(14(13)17)11-12-6-8-15-9-7-12/h2,12-13,15H,1,3-11H2.
What are the key properties of 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one?
1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one has a molecular weight of 236.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylmethyl)-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 54001948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).