(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

C20H25N3O3 — CID 74243509

IUPAC(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCC(c3nccn3C)CC1)C2
InChIInChI=1S/C20H25N3O3/c1-22-11-8-21-19(22)14-6-9-23(10-7-14)20(24)16-12-15-4-3-5-17(25-2)18(15)26-13-16/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3
InChIKeyYGITWJGXFDHNRY-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.39
Rot. Bonds3

About (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone

(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 74243509) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID74243509
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1cccc2c1OCC(C(=O)N1CCC(c3nccn3C)CC1)C2
InChIInChI=1S/C20H25N3O3/c1-22-11-8-21-19(22)14-6-9-23(10-7-14)20(24)16-12-15-4-3-5-17(25-2)18(15)26-13-16/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3
InChIKeyYGITWJGXFDHNRY-UHFFFAOYSA-N
XLogP2.39
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone (CID 74243509) is (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is COc1cccc2c1OCC(C(=O)N1CCC(c3nccn3C)CC1)C2.
What is the InChIKey of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is YGITWJGXFDHNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-22-11-8-21-19(22)14-6-9-23(10-7-14)20(24)16-12-15-4-3-5-17(25-2)18(15)26-13-16/h3-5,8,11,14,16H,6-7,9-10,12-13H2,1-2H3.
What are the key properties of (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone?
(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dihydro-2H-chromen-3-yl)-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 74243509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).