1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one

C21H24N2O — CID 10687182

IUPAC1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-11-10-18-8-4-5-9-20(18)23(21)19-12-14-22(15-13-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2
InChIKeyZYIICKSWQGLDBO-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.63
Rot. Bonds3

About 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one

1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one (PubChem CID 10687182) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
PubChem CID10687182
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N2O/c24-21-11-10-18-8-4-5-9-20(18)23(21)19-12-14-22(15-13-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2
InChIKeyZYIICKSWQGLDBO-UHFFFAOYSA-N
XLogP3.63
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
CID 21430540
11-[(1-benzylpiperidin-4-yl)methyl]-5,6-dihydrobenzo[b][1]benzazepine;oxalic acid
CID 22006200
4-(1-benzylpiperidin-4-yl)morpholin-3-one;ethane
CID 145162351
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
CID 143494207
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
CID 19030828
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one
CID 22377667
1-(1-benzylpyrrolidin-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168707846
1-acetyl-3-(1-benzylpiperidin-4-yl)-2H-quinazolin-4-one
CID 139817345

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one (CID 10687182) is 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one?
The InChIKey is ZYIICKSWQGLDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c24-21-11-10-18-8-4-5-9-20(18)23(21)19-12-14-22(15-13-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one?
1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one has a molecular weight of 320.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10687182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).