7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one

C21H21N3O4 — CID 171389391

IUPAC7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
SMILESCC(Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N3O4/c1-15(27-17-7-5-16-6-8-20(25)28-18(16)14-17)21(26)24-12-10-23(11-13-24)19-4-2-3-9-22-19/h2-9,14-15H,10-13H2,1H3
InChIKeyPQFUHPAWIGGLQM-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.30
Rot. Bonds4

About 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one

7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one (PubChem CID 171389391) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one.

Molecular Properties

Compound Name7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
PubChem CID171389391
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
SMILESCC(Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H21N3O4/c1-15(27-17-7-5-16-6-8-20(25)28-18(16)14-17)21(26)24-12-10-23(11-13-24)19-4-2-3-9-22-19/h2-9,14-15H,10-13H2,1H3
InChIKeyPQFUHPAWIGGLQM-UHFFFAOYSA-N
XLogP2.30
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 7354583
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7290736
7-[1-oxo-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]oxychromen-2-one
CID 171388634
2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 2976964
(2S)-2-(2-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 1254913
7-[1-oxo-1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171911417
(2S)-2-phenoxy-1-[(2R)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]propan-1-one
CID 26349857
7-[1-oxo-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-2-yl]oxychromen-2-one
CID 171906876
2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 70709165
7-[1-oxo-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-2-yl]oxychromen-2-one
CID 171907324
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 42024714

Frequently Asked Questions

What is the IUPAC name of 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one?
The IUPAC name of 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one (CID 171389391) is 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one.
What is the SMILES notation for 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one?
The canonical SMILES for 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one is CC(Oc1ccc2ccc(=O)oc2c1)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one?
The InChIKey is PQFUHPAWIGGLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-15(27-17-7-5-16-6-8-20(25)28-18(16)14-17)21(26)24-12-10-23(11-13-24)19-4-2-3-9-22-19/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one?
7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]oxychromen-2-one is sourced from PubChem (CID 171389391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).