4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one

C18H25N3O2S — CID 119312341

IUPAC4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C18H25N3O2S/c22-17(8-4-7-15-5-2-1-3-6-15)20-9-11-21(12-10-20)18(23)16-13-24-14-19-16/h1-3,5-6,16,19H,4,7-14H2
InChIKeyHMWPTCPWWKDPKI-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.34
Rot. Bonds5

About 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one

4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 119312341) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID119312341
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C18H25N3O2S/c22-17(8-4-7-15-5-2-1-3-6-15)20-9-11-21(12-10-20)18(23)16-13-24-14-19-16/h1-3,5-6,16,19H,4,7-14H2
InChIKeyHMWPTCPWWKDPKI-UHFFFAOYSA-N
XLogP1.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110802605
1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 119764298
3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110803631
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110757208
3-phenyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119306810
1-[4-(cyclopent-3-ene-1-carbonyl)-1,4-diazepan-1-yl]-4-phenylbutan-1-one
CID 137336213
2-(2,4-dimethylphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]ethanone
CID 110814539
N-phenyl-2-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]acetamide
CID 110741454
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119312368
1-[4-(1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 54916318

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one (CID 119312341) is 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one is O=C(CCCc1ccccc1)N1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is HMWPTCPWWKDPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-17(8-4-7-15-5-2-1-3-6-15)20-9-11-21(12-10-20)18(23)16-13-24-14-19-16/h1-3,5-6,16,19H,4,7-14H2.
What are the key properties of 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one?
4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 347.48 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119312341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).