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

C24H28N2O2 — CID 22377667

IUPAC1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1C(=O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N2O2/c27-23-11-10-21-8-4-5-9-22(21)26(23)24(28)14-17-25-15-12-20(13-16-25)18-19-6-2-1-3-7-19/h1-9,20H,10-18H2
InChIKeyFTXIWBDXUBWYTO-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.84
Rot. Bonds5

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

1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one (PubChem CID 22377667) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one
PubChem CID22377667
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1C(=O)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H28N2O2/c27-23-11-10-21-8-4-5-9-22(21)26(23)24(28)14-17-25-15-12-20(13-16-25)18-19-6-2-1-3-7-19/h1-9,20H,10-18H2
InChIKeyFTXIWBDXUBWYTO-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinazolin-2-one
CID 22377654
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydroindol-1-yl)propan-1-one
CID 109032481
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
3-(4-benzylpiperidin-1-yl)-1-(3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one;ethane
CID 142958704
3-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 606961
2-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-4-yl]acetic acid
CID 22998296
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-3-piperidin-1-ylpropan-1-one
CID 89190365
11-[(1-benzylpiperidin-4-yl)methyl]-5,6-dihydrobenzo[b][1]benzazepine;oxalic acid
CID 22006200
3-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016578

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one (CID 22377667) is 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1C(=O)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one?
The InChIKey is FTXIWBDXUBWYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23-11-10-21-8-4-5-9-22(21)26(23)24(28)14-17-25-15-12-20(13-16-25)18-19-6-2-1-3-7-19/h1-9,20H,10-18H2.
What are the key properties of 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one?
1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one has a molecular weight of 376.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzylpiperidin-1-yl)propanoyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 22377667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).