[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone

C14H22N2O3S — CID 56803135

IUPAC[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCCOCC(O)CN1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-19-10-13(17)9-15-4-6-16(7-5-15)14(18)12-3-8-20-11-12/h3,8,11,13,17H,2,4-7,9-10H2,1H3
InChIKeySLOIARDQPYTGRI-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.90
Rot. Bonds6

About [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone

[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 56803135) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID56803135
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCCOCC(O)CN1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-19-10-13(17)9-15-4-6-16(7-5-15)14(18)12-3-8-20-11-12/h3,8,11,13,17H,2,4-7,9-10H2,1H3
InChIKeySLOIARDQPYTGRI-UHFFFAOYSA-N
XLogP0.90
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 56803135) is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone is CCOCC(O)CN1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is SLOIARDQPYTGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-19-10-13(17)9-15-4-6-16(7-5-15)14(18)12-3-8-20-11-12/h3,8,11,13,17H,2,4-7,9-10H2,1H3.
What are the key properties of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 298.41 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 56803135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).