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

C21H26N2OS — CID 29401178

IUPAC(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H26N2OS/c24-20(21(10-4-5-11-21)19-9-6-16-25-19)23-14-12-22(13-15-23)17-18-7-2-1-3-8-18/h1-3,6-9,16H,4-5,10-15,17H2
InChIKeyKIPCCVSJFILXAP-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.90
Rot. Bonds4

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

(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 29401178) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID29401178
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)C1(c2cccs2)CCCC1
InChIInChI=1S/C21H26N2OS/c24-20(21(10-4-5-11-21)19-9-6-16-25-19)23-14-12-22(13-15-23)17-18-7-2-1-3-8-18/h1-3,6-9,16H,4-5,10-15,17H2
InChIKeyKIPCCVSJFILXAP-UHFFFAOYSA-N
XLogP3.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
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
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone
CID 119399365
[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90533837
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119399364
furan-2-yl-[4-(1-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 30944839
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 90516719
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
(4-benzylpiperazin-1-yl)-(1-pyrrol-1-ylcyclohexyl)methanone
CID 46328243

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (CID 29401178) is (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is O=C(N1CCN(Cc2ccccc2)CC1)C1(c2cccs2)CCCC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is KIPCCVSJFILXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c24-20(21(10-4-5-11-21)19-9-6-16-25-19)23-14-12-22(13-15-23)17-18-7-2-1-3-8-18/h1-3,6-9,16H,4-5,10-15,17H2.
What are the key properties of (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
(4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 354.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 29401178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).