2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C25H24N4OS — CID 3363193

IUPAC2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(N2CCC(Cc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C25H24N4OS/c30-24(28-25-26-12-15-31-25)21-17-23(27-22-9-5-4-8-20(21)22)29-13-10-19(11-14-29)16-18-6-2-1-3-7-18/h1-9,12,15,17,19H,10-11,13-14,16H2,(H,26,28,30)
InChIKeyRZUWTGCRGBATMU-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.40
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 3363193) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID3363193
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(N2CCC(Cc3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C25H24N4OS/c30-24(28-25-26-12-15-31-25)21-17-23(27-22-9-5-4-8-20(21)22)29-13-10-19(11-14-29)16-18-6-2-1-3-7-18/h1-9,12,15,17,19H,10-11,13-14,16H2,(H,26,28,30)
InChIKeyRZUWTGCRGBATMU-UHFFFAOYSA-N
XLogP5.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 3363193) is 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is O=C(Nc1nccs1)c1cc(N2CCC(Cc3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is RZUWTGCRGBATMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c30-24(28-25-26-12-15-31-25)21-17-23(27-22-9-5-4-8-20(21)22)29-13-10-19(11-14-29)16-18-6-2-1-3-7-18/h1-9,12,15,17,19H,10-11,13-14,16H2,(H,26,28,30).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 428.56 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 3363193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).