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

C20H18N2O3 — CID 2078229

IUPAC2-(4-phenylpiperazine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H18N2O3/c23-17-14-19(25-18-9-5-4-8-16(17)18)20(24)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeySNDOYHDKAVBTOX-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.76
Rot. Bonds2

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

2-(4-phenylpiperazine-1-carbonyl)chromen-4-one (PubChem CID 2078229) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(4-phenylpiperazine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-phenylpiperazine-1-carbonyl)chromen-4-one
PubChem CID2078229
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-(4-phenylpiperazine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H18N2O3/c23-17-14-19(25-18-9-5-4-8-16(17)18)20(24)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14H,10-13H2
InChIKeySNDOYHDKAVBTOX-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazine-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(4-phenylpiperazine-1-carbonyl)chromen-4-one (CID 2078229) is 2-(4-phenylpiperazine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(4-phenylpiperazine-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(4-phenylpiperazine-1-carbonyl)chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-(4-phenylpiperazine-1-carbonyl)chromen-4-one?
The InChIKey is SNDOYHDKAVBTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-17-14-19(25-18-9-5-4-8-16(17)18)20(24)22-12-10-21(11-13-22)15-6-2-1-3-7-15/h1-9,14H,10-13H2.
What are the key properties of 2-(4-phenylpiperazine-1-carbonyl)chromen-4-one?
2-(4-phenylpiperazine-1-carbonyl)chromen-4-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 2-(4-phenylpiperazine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 2078229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).