[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone

C21H22N4O2 — CID 56750554

IUPAC[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC2)nc1
InChIInChI=1S/C21H22N4O2/c1-15-5-6-18(24-14-15)21(27)7-11-25(12-8-21)20(26)17-4-2-3-16(13-17)19-22-9-10-23-19/h2-6,9-10,13-14,27H,7-8,11-12H2,1H3,(H,22,23)
InChIKeyQNXBHWYOTRSDOQ-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.90
Rot. Bonds3

About [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone

[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone (PubChem CID 56750554) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
PubChem CID56750554
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC2)nc1
InChIInChI=1S/C21H22N4O2/c1-15-5-6-18(24-14-15)21(27)7-11-25(12-8-21)20(26)17-4-2-3-16(13-17)19-22-9-10-23-19/h2-6,9-10,13-14,27H,7-8,11-12H2,1H3,(H,22,23)
InChIKeyQNXBHWYOTRSDOQ-UHFFFAOYSA-N
XLogP2.90
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The IUPAC name of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone (CID 56750554) is [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone is Cc1ccc(C2(O)CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC2)nc1.
What is the InChIKey of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
The InChIKey is QNXBHWYOTRSDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-5-6-18(24-14-15)21(27)7-11-25(12-8-21)20(26)17-4-2-3-16(13-17)19-22-9-10-23-19/h2-6,9-10,13-14,27H,7-8,11-12H2,1H3,(H,22,23).
What are the key properties of [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone?
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone has a molecular weight of 362.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone is sourced from PubChem (CID 56750554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).