[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

C23H29N3OS — CID 74787354

IUPAC[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCCC(C3NNCC3c3ccccc3C)C2)cc1
InChIInChI=1S/C23H29N3OS/c1-16-6-3-4-8-20(16)21-14-24-25-22(21)18-7-5-13-26(15-18)23(27)17-9-11-19(28-2)12-10-17/h3-4,6,8-12,18,21-22,24-25H,5,7,13-15H2,1-2H3
InChIKeyAKFQHJBUDFKXBT-UHFFFAOYSA-N
MW395.57 g/mol
LogP3.83
Rot. Bonds4

About [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone

[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 74787354) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID74787354
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC Name[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCCC(C3NNCC3c3ccccc3C)C2)cc1
InChIInChI=1S/C23H29N3OS/c1-16-6-3-4-8-20(16)21-14-24-25-22(21)18-7-5-13-26(15-18)23(27)17-9-11-19(28-2)12-10-17/h3-4,6,8-12,18,21-22,24-25H,5,7,13-15H2,1-2H3
InChIKeyAKFQHJBUDFKXBT-UHFFFAOYSA-N
XLogP3.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)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

[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 75100032
1-[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 75102256
cyclopenten-1-yl-[3-(4-naphthalen-1-ylpyrazolidin-3-yl)piperidin-1-yl]methanone
CID 74500551
(3-bromopyrrolidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 80678075
[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 155981854
6-[3-(2-methylphenyl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70723396
(4-chloropiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 79205656
(3-aminopiperidin-1-yl)-(3-methylsulfanylphenyl)methanone
CID 141208538
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119630987

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone (CID 74787354) is [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCCC(C3NNCC3c3ccccc3C)C2)cc1.
What is the InChIKey of [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is AKFQHJBUDFKXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS/c1-16-6-3-4-8-20(16)21-14-24-25-22(21)18-7-5-13-26(15-18)23(27)17-9-11-19(28-2)12-10-17/h3-4,6,8-12,18,21-22,24-25H,5,7,13-15H2,1-2H3.
What are the key properties of [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone?
[3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 395.57 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methylphenyl)pyrazolidin-3-yl]piperidin-1-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 74787354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).