[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone

C22H26N2O4 — CID 97149143

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone (PubChem CID 97149143) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone.

Molecular Properties

• Compound Name: [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
• PubChem CID: 97149143
• Molecular Formula: C22H26N2O4
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.19
• IUPAC Name: [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone
• SMILES: COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(O)(c3ccc(C)cn3)CC1)CO2
• InChI: InChI=1S/C22H26N2O4/c1-15-3-6-20(23-13-15)22(26)7-9-24(10-8-22)21(25)17-11-16-12-18(27-2)4-5-19(16)28-14-17/h3-6,12-13,17,26H,7-11,14H2,1-2H3/t17-/m1/s1
• InChIKey: GLEKZRYCYUSILU-QGZVFWFLSA-N
• XLogP: 2.46
• TPSA: 71.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?

The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone (CID 97149143) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone.

What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?

The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone is COc1ccc2c(c1)C[C@@H](C(=O)N1CCC(O)(c3ccc(C)cn3)CC1)CO2.

What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?

The InChIKey is GLEKZRYCYUSILU-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-3-6-20(23-13-15)22(26)7-9-24(10-8-22)21(25)17-11-16-12-18(27-2)4-5-19(16)28-14-17/h3-6,12-13,17,26H,7-11,14H2,1-2H3/t17-/m1/s1.

What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone?

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone has a molecular weight of 382.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methanone is sourced from PubChem (CID 97149143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).