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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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).