[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone

C24H28N4OS — CID 92885175

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)[C@H]2CCCN(c3nccc4sccc34)C2)CC1
InChIInChI=1S/C24H28N4OS/c1-18-5-2-3-7-21(18)26-12-14-27(15-13-26)24(29)19-6-4-11-28(17-19)23-20-9-16-30-22(20)8-10-25-23/h2-3,5,7-10,16,19H,4,6,11-15,17H2,1H3/t19-/m0/s1
InChIKeyUGGYNDAYLUWHCU-IBGZPJMESA-N
MW420.58 g/mol
LogP4.17
Rot. Bonds3

About [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone

[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone (PubChem CID 92885175) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
PubChem CID92885175
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)[C@H]2CCCN(c3nccc4sccc34)C2)CC1
InChIInChI=1S/C24H28N4OS/c1-18-5-2-3-7-21(18)26-12-14-27(15-13-26)24(29)19-6-4-11-28(17-19)23-20-9-16-30-22(20)8-10-25-23/h2-3,5,7-10,16,19H,4,6,11-15,17H2,1H3/t19-/m0/s1
InChIKeyUGGYNDAYLUWHCU-IBGZPJMESA-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 [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-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

Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 50839504
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396512
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396546
1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 172899862
N-(2,3-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 46396524
(3S)-N-(3,4-dimethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885123
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885018
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
CID 92885007
(3R)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92899043
(3R)-N-(3-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-3-carboxamide
CID 92885146
[4-(2-methylphenyl)piperazin-1-yl]-[(3R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
CID 95114862

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone (CID 92885175) is [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone is Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN(c3nccc4sccc34)C2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone?
The InChIKey is UGGYNDAYLUWHCU-IBGZPJMESA-N. The full InChI is InChI=1S/C24H28N4OS/c1-18-5-2-3-7-21(18)26-12-14-27(15-13-26)24(29)19-6-4-11-28(17-19)23-20-9-16-30-22(20)8-10-25-23/h2-3,5,7-10,16,19H,4,6,11-15,17H2,1H3/t19-/m0/s1.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone?
[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-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 [4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 92885175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).