[(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride

C13H25Cl2N3OS — CID 67507252

IUPAC[(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C([C@@H]1C[C@H](N2CCCCC2)CN1)N1CCSC1
InChIInChI=1S/C13H23N3OS.2ClH/c17-13(16-6-7-18-10-16)12-8-11(9-14-12)15-4-2-1-3-5-15;;/h11-12,14H,1-10H2;2*1H/t11-,12-;;/m0../s1
InChIKeyOSYCAPGIPGWGOO-AQEKLAMFSA-N
MW342.34 g/mol
LogP1.58
Rot. Bonds2

About [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride

[(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride (PubChem CID 67507252) has the molecular formula C13H25Cl2N3OS and a molecular weight of 342.34 g/mol. Its IUPAC name is [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
PubChem CID67507252
Molecular FormulaC13H25Cl2N3OS
Molecular Weight342.34 g/mol
Exact Mass341.11
IUPAC Name[(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C([C@@H]1C[C@H](N2CCCCC2)CN1)N1CCSC1
InChIInChI=1S/C13H23N3OS.2ClH/c17-13(16-6-7-18-10-16)12-8-11(9-14-12)15-4-2-1-3-5-15;;/h11-12,14H,1-10H2;2*1H/t11-,12-;;/m0../s1
InChIKeyOSYCAPGIPGWGOO-AQEKLAMFSA-N
XLogP1.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The IUPAC name of [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride (CID 67507252) is [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride.
What is the SMILES notation for [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The canonical SMILES for [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride is Cl.Cl.O=C([C@@H]1C[C@H](N2CCCCC2)CN1)N1CCSC1.
What is the InChIKey of [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
The InChIKey is OSYCAPGIPGWGOO-AQEKLAMFSA-N. The full InChI is InChI=1S/C13H23N3OS.2ClH/c17-13(16-6-7-18-10-16)12-8-11(9-14-12)15-4-2-1-3-5-15;;/h11-12,14H,1-10H2;2*1H/t11-,12-;;/m0../s1.
What are the key properties of [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride?
[(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride has a molecular weight of 342.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-piperidin-1-ylpyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;dihydrochloride is sourced from PubChem (CID 67507252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).