3-phenyl-7-piperazin-1-ylchromen-2-one

C19H18N2O2 — CID 155555931

IUPAC3-phenyl-7-piperazin-1-ylchromen-2-one
SMILESO=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-19-17(14-4-2-1-3-5-14)12-15-6-7-16(13-18(15)23-19)21-10-8-20-9-11-21/h1-7,12-13,20H,8-11H2
InChIKeyNKGOLDCWTLHOLJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.87
Rot. Bonds2

About 3-phenyl-7-piperazin-1-ylchromen-2-one

3-phenyl-7-piperazin-1-ylchromen-2-one (PubChem CID 155555931) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-phenyl-7-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-phenyl-7-piperazin-1-ylchromen-2-one
PubChem CID155555931
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-phenyl-7-piperazin-1-ylchromen-2-one
SMILESO=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-19-17(14-4-2-1-3-5-14)12-15-6-7-16(13-18(15)23-19)21-10-8-20-9-11-21/h1-7,12-13,20H,8-11H2
InChIKeyNKGOLDCWTLHOLJ-UHFFFAOYSA-N
XLogP2.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.87
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-phenyl-7-piperazin-1-ylchromen-2-one?
The IUPAC name of 3-phenyl-7-piperazin-1-ylchromen-2-one (CID 155555931) is 3-phenyl-7-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 3-phenyl-7-piperazin-1-ylchromen-2-one?
The canonical SMILES for 3-phenyl-7-piperazin-1-ylchromen-2-one is O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccccc1.
What is the InChIKey of 3-phenyl-7-piperazin-1-ylchromen-2-one?
The InChIKey is NKGOLDCWTLHOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19-17(14-4-2-1-3-5-14)12-15-6-7-16(13-18(15)23-19)21-10-8-20-9-11-21/h1-7,12-13,20H,8-11H2.
What are the key properties of 3-phenyl-7-piperazin-1-ylchromen-2-one?
3-phenyl-7-piperazin-1-ylchromen-2-one has a molecular weight of 306.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 155555931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).