N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide

C25H30FN3O2 — CID 46929965

IUPACN-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3c(F)cccc32)CC1
InChIInChI=1S/C25H30FN3O2/c26-22-8-4-9-23-21(22)10-11-25(31)29(23)15-5-14-28-16-12-20(13-17-28)27-24(30)18-19-6-2-1-3-7-19/h1-4,6-9,20H,5,10-18H2,(H,27,30)
InChIKeyFNUCNTBFNSAGSW-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.32
Rot. Bonds7

About N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide

N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 46929965) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID46929965
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC NameN-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3c(F)cccc32)CC1
InChIInChI=1S/C25H30FN3O2/c26-22-8-4-9-23-21(22)10-11-25(31)29(23)15-5-14-28-16-12-20(13-17-28)27-24(30)18-19-6-2-1-3-7-19/h1-4,6-9,20H,5,10-18H2,(H,27,30)
InChIKeyFNUCNTBFNSAGSW-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[3-(6,7-difluoro-2-oxo-3,4,6,7-tetrahydroquinolin-1-yl)propyl]piperidin-4-yl]propanamide
CID 70253464
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
N-cyclopropyl-2-phenylacetamide
CID 5175687
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N-(4-oxocyclohexyl)-2-phenylacetamide
CID 43652835
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 55428186
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 25205927
[1-[3-(2,6-dioxopiperidin-1-yl)propyl]piperidin-4-yl] N-benzylcarbamate
CID 91333736

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide (CID 46929965) is N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3c(F)cccc32)CC1.
What is the InChIKey of N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is FNUCNTBFNSAGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c26-22-8-4-9-23-21(22)10-11-25(31)29(23)15-5-14-28-16-12-20(13-17-28)27-24(30)18-19-6-2-1-3-7-19/h1-4,6-9,20H,5,10-18H2,(H,27,30).
What are the key properties of N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 423.53 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 46929965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).