(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride

C9H18ClN3OS — CID 131101939

IUPAC(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)[C@H]2CSCN2)CC1
InChIInChI=1S/C9H17N3OS.ClH/c10-7-1-3-12(4-2-7)9(13)8-5-14-6-11-8;/h7-8,11H,1-6,10H2;1H/t8-;/m1./s1
InChIKeyVLWLLKLJESFQKY-DDWIOCJRSA-N
MW251.78 g/mol
LogP0.02
Rot. Bonds1

About (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride (PubChem CID 131101939) has the molecular formula C9H18ClN3OS and a molecular weight of 251.78 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
PubChem CID131101939
Molecular FormulaC9H18ClN3OS
Molecular Weight251.78 g/mol
Exact Mass251.09
IUPAC Name(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)[C@H]2CSCN2)CC1
InChIInChI=1S/C9H17N3OS.ClH/c10-7-1-3-12(4-2-7)9(13)8-5-14-6-11-8;/h7-8,11H,1-6,10H2;1H/t8-;/m1./s1
InChIKeyVLWLLKLJESFQKY-DDWIOCJRSA-N
XLogP0.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride 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-(dimethylamino)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119958530
(4-methoxypiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride
CID 119275333
(4-cyclopentyloxypiperidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119312931
[4-(cyclopentylmethoxy)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 91645145
(4-aminopiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 131224010
(4-aminopiperidin-1-yl)-pyrrolidin-2-ylmethanone
CID 110461351
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
(3,3-dimethylpyrrolidin-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322655
N-cyclopentyl-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812155
[3-(hydroxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 43590441
2-methyl-1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297836
[3-(methoxymethyl)piperidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119322524

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride (CID 131101939) is (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride is Cl.NC1CCN(C(=O)[C@H]2CSCN2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
The InChIKey is VLWLLKLJESFQKY-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H17N3OS.ClH/c10-7-1-3-12(4-2-7)9(13)8-5-14-6-11-8;/h7-8,11H,1-6,10H2;1H/t8-;/m1./s1.
What are the key properties of (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride has a molecular weight of 251.78 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[(4S)-1,3-thiazolidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 131101939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).