[4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C22H20N2OS — CID 2746394

IUPAC[4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H20N2OS/c25-22(20-10-5-15-26-20)24-13-11-23(12-14-24)21-18-8-3-1-6-16(18)17-7-2-4-9-19(17)21/h1-10,15,21H,11-14H2
InChIKeyKGKMWBYFYXIUBW-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.28
Rot. Bonds2

About [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 2746394) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID2746394
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name[4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C22H20N2OS/c25-22(20-10-5-15-26-20)24-13-11-23(12-14-24)21-18-8-3-1-6-16(18)17-7-2-4-9-19(17)21/h1-10,15,21H,11-14H2
InChIKeyKGKMWBYFYXIUBW-UHFFFAOYSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 66203885
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-(9H-fluoren-9-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 118725821
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(2-adamantyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 764441
2-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9330923
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1154208
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 75950255
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311

Frequently Asked Questions

What is the IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 2746394) is [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is KGKMWBYFYXIUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c25-22(20-10-5-15-26-20)24-13-11-23(12-14-24)21-18-8-3-1-6-16(18)17-7-2-4-9-19(17)21/h1-10,15,21H,11-14H2.
What are the key properties of [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 360.48 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9H-fluoren-9-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 2746394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).