3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one

C21H24N2O — CID 139817344

IUPAC3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1c2ccccc2NCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-18-8-4-5-9-20(18)22-14-19(21)17-10-12-23(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,19,22H,10-15H2
InChIKeyYVOVTLPEEVEUIB-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.82
Rot. Bonds3

About 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one

3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 139817344) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID139817344
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1c2ccccc2NCC1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-18-8-4-5-9-20(18)22-14-19(21)17-10-12-23(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,19,22H,10-15H2
InChIKeyYVOVTLPEEVEUIB-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
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CID 10042466
(3aS,10bS)-2-benzyl-1,3,3a,4,5,10b-hexahydropyrrolo[3,4-d][2]benzazepin-6-one
CID 66821521
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methyl 3-(1-benzylpiperidin-4-yl)-4-oxocyclopentane-1-carboxylate
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cis-methyl (1S,3R)-3-(1-benzylpiperidin-4-yl)-4-oxocyclopentane-1-carboxylate
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4-(2-adamantyl)-1-benzylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one (CID 139817344) is 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one is O=C1c2ccccc2NCC1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is YVOVTLPEEVEUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21-18-8-4-5-9-20(18)22-14-19(21)17-10-12-23(13-11-17)15-16-6-2-1-3-7-16/h1-9,17,19,22H,10-15H2.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one?
3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 320.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 139817344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).