6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one

C23H25NO4 — CID 141111806

IUPAC6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one
SMILESCOc1cc2occ(-c3ccc(CN4CCCCC4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C23H25NO4/c1-26-21-12-18-20(13-22(21)27-2)28-15-19(23(18)25)17-8-6-16(7-9-17)14-24-10-4-3-5-11-24/h6-9,12-13,15H,3-5,10-11,14H2,1-2H3
InChIKeySJPMKCPGKRWOAG-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.46
Rot. Bonds5

About 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one

6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one (PubChem CID 141111806) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one
PubChem CID141111806
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one
SMILESCOc1cc2occ(-c3ccc(CN4CCCCC4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C23H25NO4/c1-26-21-12-18-20(13-22(21)27-2)28-15-19(23(18)25)17-8-6-16(7-9-17)14-24-10-4-3-5-11-24/h6-9,12-13,15H,3-5,10-11,14H2,1-2H3
InChIKeySJPMKCPGKRWOAG-UHFFFAOYSA-N
XLogP4.46
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one?
The IUPAC name of 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one (CID 141111806) is 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one is COc1cc2occ(-c3ccc(CN4CCCCC4)cc3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one?
The InChIKey is SJPMKCPGKRWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-26-21-12-18-20(13-22(21)27-2)28-15-19(23(18)25)17-8-6-16(7-9-17)14-24-10-4-3-5-11-24/h6-9,12-13,15H,3-5,10-11,14H2,1-2H3.
What are the key properties of 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one?
6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one has a molecular weight of 379.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[4-(piperidin-1-ylmethyl)phenyl]chromen-4-one is sourced from PubChem (CID 141111806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).