1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone

C17H20N2O2S — CID 1481764

IUPAC1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone
SMILESCOc1ccc(N2CCN(c3ccc(C(C)=O)s3)CC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(20)16-7-8-17(22-16)19-11-9-18(10-12-19)14-3-5-15(21-2)6-4-14/h3-8H,9-12H2,1-2H3
InChIKeyXGRRAPBDAGINAM-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.29
Rot. Bonds4

About 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone

1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone (PubChem CID 1481764) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone
PubChem CID1481764
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone
SMILESCOc1ccc(N2CCN(c3ccc(C(C)=O)s3)CC2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(20)16-7-8-17(22-16)19-11-9-18(10-12-19)14-3-5-15(21-2)6-4-14/h3-8H,9-12H2,1-2H3
InChIKeyXGRRAPBDAGINAM-UHFFFAOYSA-N
XLogP3.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51363090
[5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophen-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20947651
methyl N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]carbamate
CID 112985812
1-[5-[4-(2-sulfanylidene-1H-pyridin-4-yl)-1,4-diazepan-1-yl]thiophen-2-yl]ethanone
CID 150652086
methyl 5-pyrrolidin-1-ylthiophene-2-carboxylate
CID 10703720
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
1-(4-methoxyphenyl)piperidine
CID 10130315
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
[5-(2-fluorophenyl)thiophen-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55605013
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone (CID 1481764) is 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone is COc1ccc(N2CCN(c3ccc(C(C)=O)s3)CC2)cc1.
What is the InChIKey of 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone?
The InChIKey is XGRRAPBDAGINAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13(20)16-7-8-17(22-16)19-11-9-18(10-12-19)14-3-5-15(21-2)6-4-14/h3-8H,9-12H2,1-2H3.
What are the key properties of 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone?
1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone has a molecular weight of 316.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 1481764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).