[4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

C17H26N2O2S — CID 71783247

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCC(O)CN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C17H26N2O2S/c1-14(20)13-18-8-10-19(11-9-18)16(21)17(6-2-3-7-17)15-5-4-12-22-15/h4-5,12,14,20H,2-3,6-11,13H2,1H3
InChIKeyJBBPKIGVEJMASV-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.08
Rot. Bonds4

About [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone

[4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 71783247) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID71783247
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCC(O)CN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C17H26N2O2S/c1-14(20)13-18-8-10-19(11-9-18)16(21)17(6-2-3-7-17)15-5-4-12-22-15/h4-5,12,14,20H,2-3,6-11,13H2,1H3
InChIKeyJBBPKIGVEJMASV-UHFFFAOYSA-N
XLogP2.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone (CID 71783247) is [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is CC(O)CN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is JBBPKIGVEJMASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14(20)13-18-8-10-19(11-9-18)16(21)17(6-2-3-7-17)15-5-4-12-22-15/h4-5,12,14,20H,2-3,6-11,13H2,1H3.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone?
[4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 322.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 71783247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).