(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

C20H24N2OS — CID 42390617

IUPAC(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H24N2OS/c23-19(20(10-4-5-11-20)18-9-6-16-24-18)22-14-12-21(13-15-22)17-7-2-1-3-8-17/h1-3,6-9,16H,4-5,10-15H2
InChIKeyKFLKNIRQMYLMLR-UHFFFAOYSA-N
MW340.49 g/mol
LogP3.91
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 42390617) has the molecular formula C20H24N2OS and a molecular weight of 340.49 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID42390617
Molecular FormulaC20H24N2OS
Molecular Weight340.49 g/mol
Exact Mass340.16
IUPAC Name(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C20H24N2OS/c23-19(20(10-4-5-11-20)18-9-6-16-24-18)22-14-12-21(13-15-22)17-7-2-1-3-8-17/h1-3,6-9,16H,4-5,10-15H2
InChIKeyKFLKNIRQMYLMLR-UHFFFAOYSA-N
XLogP3.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 29401178
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90516719
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
CID 51894500
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 97354893

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (CID 42390617) is (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCN(c2ccccc2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is KFLKNIRQMYLMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS/c23-19(20(10-4-5-11-20)18-9-6-16-24-18)22-14-12-21(13-15-22)17-7-2-1-3-8-17/h1-3,6-9,16H,4-5,10-15H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 340.49 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 42390617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).