1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one

C21H24N4O2 — CID 56745526

IUPAC1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCc1ccc2cc(C3(O)CCN(C(=O)CCn4cccn4)CC3)ccc2n1
InChIInChI=1S/C21H24N4O2/c1-16-3-4-17-15-18(5-6-19(17)23-16)21(27)8-13-24(14-9-21)20(26)7-12-25-11-2-10-22-25/h2-6,10-11,15,27H,7-9,12-14H2,1H3
InChIKeyRORKRYIIMXNGOQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.64
Rot. Bonds4

About 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one

1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one (PubChem CID 56745526) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
PubChem CID56745526
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
SMILESCc1ccc2cc(C3(O)CCN(C(=O)CCn4cccn4)CC3)ccc2n1
InChIInChI=1S/C21H24N4O2/c1-16-3-4-17-15-18(5-6-19(17)23-16)21(27)8-13-24(14-9-21)20(26)7-12-25-11-2-10-22-25/h2-6,10-11,15,27H,7-9,12-14H2,1H3
InChIKeyRORKRYIIMXNGOQ-UHFFFAOYSA-N
XLogP2.64
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one (CID 56745526) is 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one is Cc1ccc2cc(C3(O)CCN(C(=O)CCn4cccn4)CC3)ccc2n1.
What is the InChIKey of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
The InChIKey is RORKRYIIMXNGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16-3-4-17-15-18(5-6-19(17)23-16)21(27)8-13-24(14-9-21)20(26)7-12-25-11-2-10-22-25/h2-6,10-11,15,27H,7-9,12-14H2,1H3.
What are the key properties of 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one?
1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-(2-methylquinolin-6-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 56745526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).