3-(4-phenylpiperazine-1-carbonyl)chromen-2-one

C20H18N2O3 — CID 709819

IUPAC3-(4-phenylpiperazine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H18N2O3/c23-19(17-14-15-6-4-5-9-18(15)25-20(17)24)22-12-10-21(11-13-22)16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIKeyPEIQALYIIRRQAZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.76
Rot. Bonds2

About 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one

3-(4-phenylpiperazine-1-carbonyl)chromen-2-one (PubChem CID 709819) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(4-phenylpiperazine-1-carbonyl)chromen-2-one
PubChem CID709819
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3-(4-phenylpiperazine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H18N2O3/c23-19(17-14-15-6-4-5-9-18(15)25-20(17)24)22-12-10-21(11-13-22)16-7-2-1-3-8-16/h1-9,14H,10-13H2
InChIKeyPEIQALYIIRRQAZ-UHFFFAOYSA-N
XLogP2.76
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
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-(4-phenylpiperazine-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one (CID 709819) is 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one?
The InChIKey is PEIQALYIIRRQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-19(17-14-15-6-4-5-9-18(15)25-20(17)24)22-12-10-21(11-13-22)16-7-2-1-3-8-16/h1-9,14H,10-13H2.
What are the key properties of 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one?
3-(4-phenylpiperazine-1-carbonyl)chromen-2-one has a molecular weight of 334.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpiperazine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 709819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).