N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide

C26H24N4O2S — CID 55501818

IUPACN-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H24N4O2S/c31-25(21-17-23(24-11-6-16-33-24)29-22-10-5-4-9-20(21)22)27-19-12-14-30(15-13-19)26(32)28-18-7-2-1-3-8-18/h1-11,16-17,19H,12-15H2,(H,27,31)(H,28,32)
InChIKeyONCKRLOIQKJSLI-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.39
Rot. Bonds4

About N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 55501818) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID55501818
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C26H24N4O2S/c31-25(21-17-23(24-11-6-16-33-24)29-22-10-5-4-9-20(21)22)27-19-12-14-30(15-13-19)26(32)28-18-7-2-1-3-8-18/h1-11,16-17,19H,12-15H2,(H,27,31)(H,28,32)
InChIKeyONCKRLOIQKJSLI-UHFFFAOYSA-N
XLogP5.39
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 25397691
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119559767
[4-(methylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119559766
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 55532752
N-cyclopropyl-6-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659167
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 119621650
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952
N-(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 166257008
2-(5-chlorothiophen-2-yl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]quinoline-4-carboxamide
CID 60513810
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2444020
cyclobutyl-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 56510738

Frequently Asked Questions

What is the IUPAC name of N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 55501818) is N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is ONCKRLOIQKJSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c31-25(21-17-23(24-11-6-16-33-24)29-22-10-5-4-9-20(21)22)27-19-12-14-30(15-13-19)26(32)28-18-7-2-1-3-8-18/h1-11,16-17,19H,12-15H2,(H,27,31)(H,28,32).
What are the key properties of N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(phenylcarbamoyl)piperidin-4-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 55501818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).