[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C13H23N3O2S — CID 54869569

IUPAC[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C13H23N3O2S/c17-13(12-9-19-10-14-12)16-5-3-15(4-6-16)8-11-2-1-7-18-11/h11-12,14H,1-10H2
InChIKeyZQRQPIPKIWKOMK-UHFFFAOYSA-N
MW285.41 g/mol
LogP-0.03
Rot. Bonds3

About [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 54869569) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID54869569
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSCN1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C13H23N3O2S/c17-13(12-9-19-10-14-12)16-5-3-15(4-6-16)8-11-2-1-7-18-11/h11-12,14H,1-10H2
InChIKeyZQRQPIPKIWKOMK-UHFFFAOYSA-N
XLogP-0.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 54869569) is [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is O=C(C1CSCN1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is ZQRQPIPKIWKOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c17-13(12-9-19-10-14-12)16-5-3-15(4-6-16)8-11-2-1-7-18-11/h11-12,14H,1-10H2.
What are the key properties of [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 285.41 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 54869569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).