[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C24H28N4OS — CID 50839462

IUPAC[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc2c(N3CCCC(C(=O)N4CCN(c5ccccc5)CC4)C3)nccc2s1
InChIInChI=1S/C24H28N4OS/c1-18-16-21-22(30-18)9-10-25-23(21)28-11-5-6-19(17-28)24(29)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h2-4,7-10,16,19H,5-6,11-15,17H2,1H3
InChIKeyYNYIFUPEQFAQJP-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.17
Rot. Bonds3

About [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 50839462) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID50839462
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1cc2c(N3CCCC(C(=O)N4CCN(c5ccccc5)CC4)C3)nccc2s1
InChIInChI=1S/C24H28N4OS/c1-18-16-21-22(30-18)9-10-25-23(21)28-11-5-6-19(17-28)24(29)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h2-4,7-10,16,19H,5-6,11-15,17H2,1H3
InChIKeyYNYIFUPEQFAQJP-UHFFFAOYSA-N
XLogP4.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-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 [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 50839462) is [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1cc2c(N3CCCC(C(=O)N4CCN(c5ccccc5)CC4)C3)nccc2s1.
What is the InChIKey of [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is YNYIFUPEQFAQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-18-16-21-22(30-18)9-10-25-23(21)28-11-5-6-19(17-28)24(29)27-14-12-26(13-15-27)20-7-3-2-4-8-20/h2-4,7-10,16,19H,5-6,11-15,17H2,1H3.
What are the key properties of [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 420.58 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 50839462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).