6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one

C24H28N2O2 — CID 13120821

IUPAC6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CCCN3CCC(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H28N2O2/c27-23(21-8-10-22-20(17-21)9-11-24(28)25-22)7-4-14-26-15-12-19(13-16-26)18-5-2-1-3-6-18/h1-3,5-6,8,10,17,19H,4,7,9,11-16H2,(H,25,28)
InChIKeyWGBGZZBBGASECB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.41
Rot. Bonds6

About 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13120821) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13120821
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CCCN3CCC(c4ccccc4)CC3)ccc2N1
InChIInChI=1S/C24H28N2O2/c27-23(21-8-10-22-20(17-21)9-11-24(28)25-22)7-4-14-26-15-12-19(13-16-26)18-5-2-1-3-6-18/h1-3,5-6,8,10,17,19H,4,7,9,11-16H2,(H,25,28)
InChIKeyWGBGZZBBGASECB-UHFFFAOYSA-N
XLogP4.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(4-phenylpiperidin-1-yl)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120864
6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
CID 13120827
6-[4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]butanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13064836
6-(2-phenylsulfanylacetyl)-3,4-dihydro-1H-quinolin-2-one
CID 2801269
7-[2-(4-benzylpiperidin-1-yl)acetyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 21465114
4-[4-(3-aminophenyl)piperidin-1-yl]-1-(4-phenoxyphenyl)butan-1-one
CID 22049070
6-[3-(4-phenylpiperidin-1-yl)propanoyl]-1-prop-2-enyl-3,4-dihydroquinolin-2-one;hydrochloride
CID 13120830
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
CID 21108056
1-(4-cyclopentylphenyl)-4-(4-methylpiperazin-1-yl)butan-1-one
CID 827253
N-[3-(azepan-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 86911974
7-[3-[4-(2,4-dimethylphenyl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 13120852

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one (CID 13120821) is 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)CCCN3CCC(c4ccccc4)CC3)ccc2N1.
What is the InChIKey of 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WGBGZZBBGASECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(21-8-10-22-20(17-21)9-11-24(28)25-22)7-4-14-26-15-12-19(13-16-26)18-5-2-1-3-6-18/h1-3,5-6,8,10,17,19H,4,7,9,11-16H2,(H,25,28).
What are the key properties of 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 376.50 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-phenylpiperidin-1-yl)butanoyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13120821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).