1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

C21H22N2O3 — CID 14969526

IUPAC1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESO=C(c1ccc(O)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c24-18-8-5-16(6-9-18)21(26)22-13-11-17(12-14-22)23-19-4-2-1-3-15(19)7-10-20(23)25/h1-6,8-9,17,24H,7,10-14H2
InChIKeyOKSCENUJYGBZLG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.98
Rot. Bonds2

About 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 14969526) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID14969526
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESO=C(c1ccc(O)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1
InChIInChI=1S/C21H22N2O3/c24-18-8-5-16(6-9-18)21(26)22-13-11-17(12-14-22)23-19-4-2-1-3-15(19)7-10-20(23)25/h1-6,8-9,17,24H,7,10-14H2
InChIKeyOKSCENUJYGBZLG-UHFFFAOYSA-N
XLogP2.98
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 14969526) is 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is O=C(c1ccc(O)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1.
What is the InChIKey of 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is OKSCENUJYGBZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-18-8-5-16(6-9-18)21(26)22-13-11-17(12-14-22)23-19-4-2-1-3-15(19)7-10-20(23)25/h1-6,8-9,17,24H,7,10-14H2.
What are the key properties of 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 14969526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).