7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one

C24H27NO3 — CID 155535905

IUPAC7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCC3CCN(Cc4ccccc4)CC3)cc2oc1=O
InChIInChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-14-21(8-9-22(17)23)27-16-20-10-12-25(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3
InChIKeyMWFBGTXYOJLQIW-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.70
Rot. Bonds5

About 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one

7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one (PubChem CID 155535905) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one
PubChem CID155535905
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCC3CCN(Cc4ccccc4)CC3)cc2oc1=O
InChIInChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-14-21(8-9-22(17)23)27-16-20-10-12-25(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3
InChIKeyMWFBGTXYOJLQIW-UHFFFAOYSA-N
XLogP4.70
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2H-1-Benzopyran-2-one, 4-methyl-7-(2-(1-piperidinyl)ethoxy)-
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4-Methyl-5,7-bis(2-(4-morpholinyl)ethoxy)-2H-1-benzopyran-2-one
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Frequently Asked Questions

What is the IUPAC name of 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one?
The IUPAC name of 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one (CID 155535905) is 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one is Cc1c(C)c2ccc(OCC3CCN(Cc4ccccc4)CC3)cc2oc1=O.
What is the InChIKey of 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one?
The InChIKey is MWFBGTXYOJLQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-14-21(8-9-22(17)23)27-16-20-10-12-25(13-11-20)15-19-6-4-3-5-7-19/h3-9,14,20H,10-13,15-16H2,1-2H3.
What are the key properties of 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one?
7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one has a molecular weight of 377.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-benzylpiperidin-4-yl)methoxy]-3,4-dimethylchromen-2-one is sourced from PubChem (CID 155535905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).