3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one

C21H25N3O2 — CID 3061386

IUPAC3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(16-6-2-1-3-7-16)15-23-12-10-18(11-13-23)24-14-17-8-4-5-9-19(17)22-21(24)26/h1-9,18,20,25H,10-15H2,(H,22,26)
InChIKeyYOXAEVSTKBLUOT-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.23
Rot. Bonds4

About 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one

3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one (PubChem CID 3061386) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
PubChem CID3061386
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one
SMILESO=C1Nc2ccccc2CN1C1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c25-20(16-6-2-1-3-7-16)15-23-12-10-18(11-13-23)24-14-17-8-4-5-9-19(17)22-21(24)26/h1-9,18,20,25H,10-15H2,(H,22,26)
InChIKeyYOXAEVSTKBLUOT-UHFFFAOYSA-N
XLogP3.23
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one (CID 3061386) is 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one is O=C1Nc2ccccc2CN1C1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
The InChIKey is YOXAEVSTKBLUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(16-6-2-1-3-7-16)15-23-12-10-18(11-13-23)24-14-17-8-4-5-9-19(17)22-21(24)26/h1-9,18,20,25H,10-15H2,(H,22,26).
What are the key properties of 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one?
3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 3061386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).