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

C26H30N4OS — CID 10551369

IUPAC[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSC(c2cnc3ccccc3c2)N1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C26H30N4OS/c31-26(30-15-13-29(14-16-30)12-6-9-20-7-2-1-3-8-20)24-19-32-25(28-24)22-17-21-10-4-5-11-23(21)27-18-22/h1-5,7-8,10-11,17-18,24-25,28H,6,9,12-16,19H2/t24-,25?/m0/s1
InChIKeyWUAAJPADNNSIJS-SKCDSABHSA-N
MW446.62 g/mol
LogP3.72
Rot. Bonds6

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

[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10551369) has the molecular formula C26H30N4OS and a molecular weight of 446.62 g/mol. Its IUPAC name is [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10551369
Molecular FormulaC26H30N4OS
Molecular Weight446.62 g/mol
Exact Mass446.21
IUPAC Name[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C([C@@H]1CSC(c2cnc3ccccc3c2)N1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C26H30N4OS/c31-26(30-15-13-29(14-16-30)12-6-9-20-7-2-1-3-8-20)24-19-32-25(28-24)22-17-21-10-4-5-11-23(21)27-18-22/h1-5,7-8,10-11,17-18,24-25,28H,6,9,12-16,19H2/t24-,25?/m0/s1
InChIKeyWUAAJPADNNSIJS-SKCDSABHSA-N
XLogP3.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone with MolForge

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Related Compounds

[4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone
CID 14881723
morpholin-4-yl-[4-(3-quinolin-3-ylpropyl)piperazin-1-yl]methanone
CID 24733895
[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 10692940
1-methyl-4-[4-(3-phenylpropyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
CID 70763389
N-(2,4-difluorophenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733892
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
3-[4-(2-phenylethyl)piperazin-1-yl]quinoline
CID 174498019
[4-(3-phenylpropyl)piperazin-1-yl]-(5-pyridin-3-yl-1H-pyrrol-2-yl)methanone
CID 10499664
[4-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]piperazin-1-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 67804027
N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733890
2-chloro-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 12563664
(3S)-3-[4-(2-phenylethyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one
CID 95986453

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10551369) is [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone is O=C([C@@H]1CSC(c2cnc3ccccc3c2)N1)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is WUAAJPADNNSIJS-SKCDSABHSA-N. The full InChI is InChI=1S/C26H30N4OS/c31-26(30-15-13-29(14-16-30)12-6-9-20-7-2-1-3-8-20)24-19-32-25(28-24)22-17-21-10-4-5-11-23(21)27-18-22/h1-5,7-8,10-11,17-18,24-25,28H,6,9,12-16,19H2/t24-,25?/m0/s1.
What are the key properties of [4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone?
[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 446.62 g/mol, XLogP of 3.72, 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-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10551369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).