8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one

C24H21NO2S — CID 44562554

IUPAC8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccccc4)cs3)cccc12
InChIInChI=1S/C24H21NO2S/c26-21-15-23(25-12-5-2-6-13-25)27-24-19(21)10-7-11-20(24)22-14-18(16-28-22)17-8-3-1-4-9-17/h1,3-4,7-11,14-16H,2,5-6,12-13H2
InChIKeyCCYGYSQZRLJRHQ-UHFFFAOYSA-N
MW387.50 g/mol
LogP6.18
Rot. Bonds3

About 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one

8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one (PubChem CID 44562554) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one.

Molecular Properties

Compound Name8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one
PubChem CID44562554
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC Name8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one
SMILESO=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccccc4)cs3)cccc12
InChIInChI=1S/C24H21NO2S/c26-21-15-23(25-12-5-2-6-13-25)27-24-19(21)10-7-11-20(24)22-14-18(16-28-22)17-8-3-1-4-9-17/h1,3-4,7-11,14-16H,2,5-6,12-13H2
InChIKeyCCYGYSQZRLJRHQ-UHFFFAOYSA-N
XLogP6.18
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one?
The IUPAC name of 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one (CID 44562554) is 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one.
What is the SMILES notation for 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one?
The canonical SMILES for 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one is O=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccccc4)cs3)cccc12.
What is the InChIKey of 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one?
The InChIKey is CCYGYSQZRLJRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2S/c26-21-15-23(25-12-5-2-6-13-25)27-24-19(21)10-7-11-20(24)22-14-18(16-28-22)17-8-3-1-4-9-17/h1,3-4,7-11,14-16H,2,5-6,12-13H2.
What are the key properties of 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one?
8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one has a molecular weight of 387.50 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-phenylthiophen-2-yl)-2-piperidin-1-ylchromen-4-one is sourced from PubChem (CID 44562554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).