8-phenyl-2-piperazin-1-ylchromen-4-one

C19H18N2O2 — CID 3971

IUPAC8-phenyl-2-piperazin-1-ylchromen-4-one
SMILESO=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChIKeyNGAGMBNBKCDCDJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.87
Rot. Bonds2

About 8-phenyl-2-piperazin-1-ylchromen-4-one

8-phenyl-2-piperazin-1-ylchromen-4-one (PubChem CID 3971) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 8-phenyl-2-piperazin-1-ylchromen-4-one.

Molecular Properties

Compound Name8-phenyl-2-piperazin-1-ylchromen-4-one
PubChem CID3971
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name8-phenyl-2-piperazin-1-ylchromen-4-one
SMILESO=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2
InChIKeyNGAGMBNBKCDCDJ-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

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Related Compounds

2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one
CID 3973
4H-Naphtho(1,2-b)pyran-4-one, 2-(1-piperidinyl)-
CID 3045697
8-(4-Acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11710022
8-Methyl-2-morpholin-4-yl-chromen-4-one
CID 10083230
2-morpholino-8-(2-phenylethynyl)-4H-chromen-4-one
CID 10359339
8-Phenyl-2-piperidin-1-yl-chromen-4-one
CID 11185819
8-Phenyl-2-thiomorpholin-4-yl-chromen-4-one
CID 11324758
2-Morpholin-4-yl-6-phenyl-chromen-4-one
CID 11358716
2-Morpholin-4-yl-8-styrylchromen-4-one
CID 11709748
2-Morpholin-4-yl-8-phenylchromen-4-one;hydrochloride
CID 11957589
8-(biphenyl-3-yl)-2-morpholino-4H-chromen-4-one
CID 44562453
6-(2-Acetylphenyl)-2-morpholin-4-ylchromen-4-one
CID 11552020

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-piperazin-1-ylchromen-4-one?
The IUPAC name of 8-phenyl-2-piperazin-1-ylchromen-4-one (CID 3971) is 8-phenyl-2-piperazin-1-ylchromen-4-one.
What is the SMILES notation for 8-phenyl-2-piperazin-1-ylchromen-4-one?
The canonical SMILES for 8-phenyl-2-piperazin-1-ylchromen-4-one is O=c1cc(N2CCNCC2)oc2c(-c3ccccc3)cccc12.
What is the InChIKey of 8-phenyl-2-piperazin-1-ylchromen-4-one?
The InChIKey is NGAGMBNBKCDCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-17-13-18(21-11-9-20-10-12-21)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13,20H,9-12H2.
What are the key properties of 8-phenyl-2-piperazin-1-ylchromen-4-one?
8-phenyl-2-piperazin-1-ylchromen-4-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 8-phenyl-2-piperazin-1-ylchromen-4-one is sourced from PubChem (CID 3971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).