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

C16H18N2O2S — CID 694533

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H18N2O2S/c1-20-14-6-3-2-5-13(14)17-8-10-18(11-9-17)16(19)15-7-4-12-21-15/h2-7,12H,8-11H2,1H3
InChIKeyOQQADZFNFNHIJO-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.72
Rot. Bonds3

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

[4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 694533) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID694533
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C16H18N2O2S/c1-20-14-6-3-2-5-13(14)17-8-10-18(11-9-17)16(19)15-7-4-12-21-15/h2-7,12H,8-11H2,1H3
InChIKeyOQQADZFNFNHIJO-UHFFFAOYSA-N
XLogP2.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 694533) is [4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone is COc1ccccc1N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is OQQADZFNFNHIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-14-6-3-2-5-13(14)17-8-10-18(11-9-17)16(19)15-7-4-12-21-15/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 302.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 694533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).