1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C28H26FN3O2S — CID 60599949

IUPAC1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C28H26FN3O2S/c29-21-9-7-19(8-10-21)26-18-24(23-5-1-2-6-25(23)31-26)28(34)32-15-12-20(13-16-32)27(33)30-14-11-22-4-3-17-35-22/h1-10,17-18,20H,11-16H2,(H,30,33)
InChIKeyNWQVHIGQXAAABM-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.31
Rot. Bonds6

About 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 60599949) has the molecular formula C28H26FN3O2S and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID60599949
Molecular FormulaC28H26FN3O2S
Molecular Weight487.60 g/mol
Exact Mass487.17
IUPAC Name1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccs1)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C28H26FN3O2S/c29-21-9-7-19(8-10-21)26-18-24(23-5-1-2-6-25(23)31-26)28(34)32-15-12-20(13-16-32)27(33)30-14-11-22-4-3-17-35-22/h1-10,17-18,20H,11-16H2,(H,30,33)
InChIKeyNWQVHIGQXAAABM-UHFFFAOYSA-N
XLogP5.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 39938186
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 18287541
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
N-(2-thiophen-2-ylethyl)-1-(2-thiophen-2-ylquinazolin-4-yl)piperidine-4-carboxamide
CID 133277456
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599884
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 133277458
2-(4-bromophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]quinoline-4-carboxamide
CID 34038513

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 60599949) is 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is O=C(NCCc1cccs1)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is NWQVHIGQXAAABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O2S/c29-21-9-7-19(8-10-21)26-18-24(23-5-1-2-6-25(23)31-26)28(34)32-15-12-20(13-16-32)27(33)30-14-11-22-4-3-17-35-22/h1-10,17-18,20H,11-16H2,(H,30,33).
What are the key properties of 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60599949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).