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

C22H34N4OS — CID 14881723

IUPAC[4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSC(C2CCCNC2)N1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H34N4OS/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/h1-3,6-7,19-21,23-24H,4-5,8-17H2
InChIKeySGIRTJCOVIHTRQ-UHFFFAOYSA-N
MW402.61 g/mol
LogP1.79
Rot. Bonds6

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

[4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone (PubChem CID 14881723) has the molecular formula C22H34N4OS and a molecular weight of 402.61 g/mol. Its IUPAC name is [4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone
PubChem CID14881723
Molecular FormulaC22H34N4OS
Molecular Weight402.61 g/mol
Exact Mass402.25
IUPAC Name[4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone
SMILESO=C(C1CSC(C2CCCNC2)N1)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C22H34N4OS/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/h1-3,6-7,19-21,23-24H,4-5,8-17H2
InChIKeySGIRTJCOVIHTRQ-UHFFFAOYSA-N
XLogP1.79
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.61
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

[4-(3-phenylpropyl)piperazin-1-yl]-[(4R)-2-quinolin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 10551369
1-methyl-4-[4-(3-phenylpropyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
CID 70763389
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
CID 66273007
4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119312368
(3S)-3-[4-(2-phenylethyl)piperazine-1-carbonyl]-1,4-thiazepan-5-one
CID 95986453
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
[(4R)-2-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-yl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 10692940
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
CID 2930874
2-chloro-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 12563664
1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine
CID 44592885
3-phenyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119306810
(3-aminocyclohexyl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 91660417

Frequently Asked Questions

What is the IUPAC name of [4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone (CID 14881723) is [4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone is O=C(C1CSC(C2CCCNC2)N1)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of [4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone?
The InChIKey is SGIRTJCOVIHTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4OS/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/h1-3,6-7,19-21,23-24H,4-5,8-17H2.
What are the key properties of [4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone?
[4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone has a molecular weight of 402.61 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-phenylpropyl)piperazin-1-yl]-(2-piperidin-3-yl-1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 14881723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).