1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone

C15H22N2O4S — CID 77092942

IUPAC1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCN(CCOCCO)CC2)cs1
InChIInChI=1S/C15H22N2O4S/c1-12(19)14-10-13(11-22-14)15(20)17-4-2-16(3-5-17)6-8-21-9-7-18/h10-11,18H,2-9H2,1H3
InChIKeyQAGXKHDHSONAJO-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.72
Rot. Bonds7

About 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone

1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 77092942) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID77092942
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCN(CCOCCO)CC2)cs1
InChIInChI=1S/C15H22N2O4S/c1-12(19)14-10-13(11-22-14)15(20)17-4-2-16(3-5-17)6-8-21-9-7-18/h10-11,18H,2-9H2,1H3
InChIKeyQAGXKHDHSONAJO-UHFFFAOYSA-N
XLogP0.72
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)thiophen-2-yl]ethanone
CID 72917736
(3-fluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]-1,4-diazepan-1-yl]methanone
CID 111439517
(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
CID 111439654
1-[4-(5-acetylthiophene-3-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-3-ylethanone
CID 137343954
[5-(3-aminoprop-1-ynyl)thiophen-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 79695986
methyl 3-[4-(5-iodothiophene-3-carbonyl)piperazin-1-yl]propanoate
CID 78950196
2-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]ethanol
CID 62994663
2-[4,7-bis(carboxymethyl)-10-[2-(2-hydroxyethoxy)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19438545
2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
CID 176958923
1-[4-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepane-1-carbonyl]thiophen-2-yl]ethanone
CID 70743799
(5-bromothiophen-3-yl)-[4-(2-chloroethyl)-1,4-diazepan-1-yl]methanone
CID 107965875
2-(4-chlorophenyl)-1-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethanone
CID 111439548

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone (CID 77092942) is 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1cc(C(=O)N2CCN(CCOCCO)CC2)cs1.
What is the InChIKey of 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is QAGXKHDHSONAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(19)14-10-13(11-22-14)15(20)17-4-2-16(3-5-17)6-8-21-9-7-18/h10-11,18H,2-9H2,1H3.
What are the key properties of 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone?
1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 326.42 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 77092942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).