3-(piperazin-1-ylmethyl)chromen-2-one

C14H16N2O2 — CID 45496655

IUPAC3-(piperazin-1-ylmethyl)chromen-2-one
SMILESO=c1oc2ccccc2cc1CN1CCNCC1
InChIInChI=1S/C14H16N2O2/c17-14-12(10-16-7-5-15-6-8-16)9-11-3-1-2-4-13(11)18-14/h1-4,9,15H,5-8,10H2
InChIKeyVZGWKDBFRBVUPC-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.20
Rot. Bonds2

About 3-(piperazin-1-ylmethyl)chromen-2-one

3-(piperazin-1-ylmethyl)chromen-2-one (PubChem CID 45496655) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)chromen-2-one
PubChem CID45496655
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(piperazin-1-ylmethyl)chromen-2-one
SMILESO=c1oc2ccccc2cc1CN1CCNCC1
InChIInChI=1S/C14H16N2O2/c17-14-12(10-16-7-5-15-6-8-16)9-11-3-1-2-4-13(11)18-14/h1-4,9,15H,5-8,10H2
InChIKeyVZGWKDBFRBVUPC-UHFFFAOYSA-N
XLogP1.20
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)chromen-2-one?
The IUPAC name of 3-(piperazin-1-ylmethyl)chromen-2-one (CID 45496655) is 3-(piperazin-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)chromen-2-one?
The canonical SMILES for 3-(piperazin-1-ylmethyl)chromen-2-one is O=c1oc2ccccc2cc1CN1CCNCC1.
What is the InChIKey of 3-(piperazin-1-ylmethyl)chromen-2-one?
The InChIKey is VZGWKDBFRBVUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-14-12(10-16-7-5-15-6-8-16)9-11-3-1-2-4-13(11)18-14/h1-4,9,15H,5-8,10H2.
What are the key properties of 3-(piperazin-1-ylmethyl)chromen-2-one?
3-(piperazin-1-ylmethyl)chromen-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 45496655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).