[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C18H22N4OS — CID 75950255

IUPAC[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C18H22N4OS/c23-18(16-7-4-12-24-16)22-10-8-21(9-11-22)17-13-15(19-20-17)14-5-2-1-3-6-14/h1-7,12,15,17,19-20H,8-11,13H2
InChIKeyHWMLCUAAGUYSRX-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.07
Rot. Bonds3

About [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 75950255) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID75950255
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C18H22N4OS/c23-18(16-7-4-12-24-16)22-10-8-21(9-11-22)17-13-15(19-20-17)14-5-2-1-3-6-14/h1-7,12,15,17,19-20H,8-11,13H2
InChIKeyHWMLCUAAGUYSRX-UHFFFAOYSA-N
XLogP2.07
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-dichlorophenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088241
N-[4-[4-(5-phenylpyrazolidin-3-yl)piperazine-1-carbonyl]phenyl]acetamide
CID 134088257
[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 75950258
[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 66203885
[4-[5-(4-chlorophenyl)pyrazolidin-3-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 134088281
(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088263
[4-(2-adamantyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 764441
[4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2746394
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[(7S)-1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl]-thiophen-2-ylmethanone
CID 129357160
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197

Frequently Asked Questions

What is the IUPAC name of [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 75950255) is [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(C2CC(c3ccccc3)NN2)CC1.
What is the InChIKey of [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is HWMLCUAAGUYSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c23-18(16-7-4-12-24-16)22-10-8-21(9-11-22)17-13-15(19-20-17)14-5-2-1-3-6-14/h1-7,12,15,17,19-20H,8-11,13H2.
What are the key properties of [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 342.47 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 75950255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).