N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

C27H32FN3O3 — CID 55978631

IUPACN-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)CC1
InChIInChI=1S/C27H32FN3O3/c1-27(2,3)26(34)30-16-13-19(14-17-30)25(33)31-15-5-6-21-22(7-4-8-23(21)31)29-24(32)18-9-11-20(28)12-10-18/h4,7-12,19H,5-6,13-17H2,1-3H3,(H,29,32)
InChIKeyWCMCCIZTHVRNMW-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.64
Rot. Bonds3

About N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide

N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (PubChem CID 55978631) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
PubChem CID55978631
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC NameN-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)CC1
InChIInChI=1S/C27H32FN3O3/c1-27(2,3)26(34)30-16-13-19(14-17-30)25(33)31-15-5-6-21-22(7-4-8-23(21)31)29-24(32)18-9-11-20(28)12-10-18/h4,7-12,19H,5-6,13-17H2,1-3H3,(H,29,32)
InChIKeyWCMCCIZTHVRNMW-UHFFFAOYSA-N
XLogP4.64
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide with MolForge

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Related Compounds

N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-(1-butanoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 52725585
N-[1-(2,4-difluorobenzoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978757
N-[1-(4-ethoxybutanoyl)-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55977616
N-[1-[1-(cyclopropylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548669
N-[1-[1-(tert-butylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548609
4-fluoro-N-[1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 55979035
N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
CID 47060027
N-[1-[3-(cyclopropylsulfamoyl)benzoyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978374
1-butyl-3-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-5-yl]urea
CID 56789348
N-[1-[2-(2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl)acetyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55979289
4-fluoro-N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]-3,4-dihydro-2H-quinolin-5-yl]benzamide
CID 60548822

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide (CID 55978631) is N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is CC(C)(C)C(=O)N1CCC(C(=O)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)CC1.
What is the InChIKey of N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
The InChIKey is WCMCCIZTHVRNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-27(2,3)26(34)30-16-13-19(14-17-30)25(33)31-15-5-6-21-22(7-4-8-23(21)31)29-24(32)18-9-11-20(28)12-10-18/h4,7-12,19H,5-6,13-17H2,1-3H3,(H,29,32).
What are the key properties of N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide?
N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide has a molecular weight of 465.57 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 55978631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).