[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C22H28N4OS — CID 10668473

IUPAC[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H28N4OS/c27-22(20-17-28-21(24-20)19-9-4-10-23-16-19)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,20-21,24H,5,8,11-15,17H2/t20-,21?/m0/s1
InChIKeyFHKSAMKFFJMXMV-BGERDNNASA-N
MW396.56 g/mol
LogP2.56
Rot. Bonds6

About [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10668473) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10668473
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H28N4OS/c27-22(20-17-28-21(24-20)19-9-4-10-23-16-19)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,20-21,24H,5,8,11-15,17H2/t20-,21?/m0/s1
InChIKeyFHKSAMKFFJMXMV-BGERDNNASA-N
XLogP2.56
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10668473) is [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is O=C([C@@H]1CSC(c2cccnc2)N1)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is FHKSAMKFFJMXMV-BGERDNNASA-N. The full InChI is InChI=1S/C22H28N4OS/c27-22(20-17-28-21(24-20)19-9-4-10-23-16-19)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-4,6-7,9-10,16,20-21,24H,5,8,11-15,17H2/t20-,21?/m0/s1.
What are the key properties of [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 396.56 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10668473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).