2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide

C22H23N3O2S — CID 110238205

IUPAC2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(c3nc4ccccc4cc3C(N)=O)C2)sc1C
InChIInChI=1S/C22H23N3O2S/c1-13-10-19(28-14(13)2)22(27)25-9-5-7-16(12-25)20-17(21(23)26)11-15-6-3-4-8-18(15)24-20/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3,(H2,23,26)
InChIKeyBKVPCAUYJXBXTO-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.03
Rot. Bonds3

About 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide

2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide (PubChem CID 110238205) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
PubChem CID110238205
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
SMILESCc1cc(C(=O)N2CCCC(c3nc4ccccc4cc3C(N)=O)C2)sc1C
InChIInChI=1S/C22H23N3O2S/c1-13-10-19(28-14(13)2)22(27)25-9-5-7-16(12-25)20-17(21(23)26)11-15-6-3-4-8-18(15)24-20/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3,(H2,23,26)
InChIKeyBKVPCAUYJXBXTO-UHFFFAOYSA-N
XLogP4.03
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]piperidin-3-yl]quinoline-3-carboxamide
CID 95856590
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238262
6-fluoro-2-[1-(5-methoxythiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238252
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238113
6-fluoro-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238135
6-fluoro-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]quinoline-3-carboxamide
CID 110238177
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 9223943
[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 65238887
(4,5-dimethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900652
6-fluoro-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]quinoline-3-carboxamide
CID 110238182
2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-6-fluoroquinoline-3-carboxamide
CID 110238250
(4-amino-5-methylthiophen-2-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 61108625

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The IUPAC name of 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide (CID 110238205) is 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide.
What is the SMILES notation for 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The canonical SMILES for 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide is Cc1cc(C(=O)N2CCCC(c3nc4ccccc4cc3C(N)=O)C2)sc1C.
What is the InChIKey of 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
The InChIKey is BKVPCAUYJXBXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-13-10-19(28-14(13)2)22(27)25-9-5-7-16(12-25)20-17(21(23)26)11-15-6-3-4-8-18(15)24-20/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3,(H2,23,26).
What are the key properties of 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide?
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-3-yl]quinoline-3-carboxamide is sourced from PubChem (CID 110238205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).