1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide

C26H23N3O2S — CID 16549005

IUPAC1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CCC(C(=O)Nc3cccc4cccnc34)C2c2cccs2)cc1
InChIInChI=1S/C26H23N3O2S/c1-17-9-11-19(12-10-17)29-23(30)14-13-20(25(29)22-8-4-16-32-22)26(31)28-21-7-2-5-18-6-3-15-27-24(18)21/h2-12,15-16,20,25H,13-14H2,1H3,(H,28,31)
InChIKeyCSGFRVZMZHWBDH-UHFFFAOYSA-N
MW441.56 g/mol
LogP5.73
Rot. Bonds4

About 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide

1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 16549005) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID16549005
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC Name1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CCC(C(=O)Nc3cccc4cccnc34)C2c2cccs2)cc1
InChIInChI=1S/C26H23N3O2S/c1-17-9-11-19(12-10-17)29-23(30)14-13-20(25(29)22-8-4-16-32-22)26(31)28-21-7-2-5-18-6-3-15-27-24(18)21/h2-12,15-16,20,25H,13-14H2,1H3,(H,28,31)
InChIKeyCSGFRVZMZHWBDH-UHFFFAOYSA-N
XLogP5.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26093966
(2R,3R)-N-[2-(cyclopropylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 40986702
(2S,3R)-N-(3-cyanothiophen-2-yl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 40985167
2-[[1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78828208
N-(4-hydroxycyclohexyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112789008
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 112794660
1-(4-methylphenyl)-6-oxo-N-pyrrolidin-3-yl-2-thiophen-2-ylpiperidine-3-carboxamide
CID 119450128
N-[3-(dimethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 46517441
(2S,3R)-1-(4-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 9117303
N-[4-(cyanomethyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 60601232
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 55363435
(2S,3S)-N-[4-(diethylcarbamoyl)phenyl]-1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 26899623

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide (CID 16549005) is 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide is Cc1ccc(N2C(=O)CCC(C(=O)Nc3cccc4cccnc34)C2c2cccs2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is CSGFRVZMZHWBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-17-9-11-19(12-10-17)29-23(30)14-13-20(25(29)22-8-4-16-32-22)26(31)28-21-7-2-5-18-6-3-15-27-24(18)21/h2-12,15-16,20,25H,13-14H2,1H3,(H,28,31).
What are the key properties of 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide?
1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 441.56 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-6-oxo-N-quinolin-8-yl-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 16549005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).