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

C22H26N2O — CID 12741866

IUPAC1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c25-22-11-10-19-8-4-5-9-21(19)24(22)20-13-16-23(17-14-20)15-12-18-6-2-1-3-7-18/h1-9,20H,10-17H2
InChIKeyIZXZGPQCAAVZJF-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.67
Rot. Bonds4

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

1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 12741866) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID12741866
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H26N2O/c25-22-11-10-19-8-4-5-9-21(19)24(22)20-13-16-23(17-14-20)15-12-18-6-2-1-3-7-18/h1-9,20H,10-17H2
InChIKeyIZXZGPQCAAVZJF-UHFFFAOYSA-N
XLogP3.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 12741866) is 1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is IZXZGPQCAAVZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22-11-10-19-8-4-5-9-21(19)24(22)20-13-16-23(17-14-20)15-12-18-6-2-1-3-7-18/h1-9,20H,10-17H2.
What are the key properties of 1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 334.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 12741866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).