(4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone

C19H24N4OS — CID 50819266

IUPAC(4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccncc2)n1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H24N4OS/c24-19(17-14-25-18(21-17)15-4-8-20-9-5-15)23-12-6-16(7-13-23)22-10-2-1-3-11-22/h4-5,8-9,14,16H,1-3,6-7,10-13H2
InChIKeyJKEMNGZLNXXDMA-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.30
Rot. Bonds3

About (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone

(4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (PubChem CID 50819266) has the molecular formula C19H24N4OS and a molecular weight of 356.49 g/mol. Its IUPAC name is (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
PubChem CID50819266
Molecular FormulaC19H24N4OS
Molecular Weight356.49 g/mol
Exact Mass356.17
IUPAC Name(4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccncc2)n1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C19H24N4OS/c24-19(17-14-25-18(21-17)15-4-8-20-9-5-15)23-12-6-16(7-13-23)22-10-2-1-3-11-22/h4-5,8-9,14,16H,1-3,6-7,10-13H2
InChIKeyJKEMNGZLNXXDMA-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone (CID 50819266) is (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccncc2)n1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is JKEMNGZLNXXDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c24-19(17-14-25-18(21-17)15-4-8-20-9-5-15)23-12-6-16(7-13-23)22-10-2-1-3-11-22/h4-5,8-9,14,16H,1-3,6-7,10-13H2.
What are the key properties of (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone?
(4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 356.49 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylpiperidin-1-yl)-(2-pyridin-4-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 50819266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).