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

C21H27N3O2S — CID 660959

IUPAC[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccccc1N1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C21H27N3O2S/c1-26-19-6-3-2-5-18(19)23-14-12-22(13-15-23)17-8-10-24(11-9-17)21(25)20-7-4-16-27-20/h2-7,16-17H,8-15H2,1H3
InChIKeyJSUQVYDWIXSULI-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.18
Rot. Bonds4

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

[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 660959) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID660959
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC Name[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccccc1N1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C21H27N3O2S/c1-26-19-6-3-2-5-18(19)23-14-12-22(13-15-23)17-8-10-24(11-9-17)21(25)20-7-4-16-27-20/h2-7,16-17H,8-15H2,1H3
InChIKeyJSUQVYDWIXSULI-UHFFFAOYSA-N
XLogP3.18
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 660959) is [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone is COc1ccccc1N1CCN(C2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JSUQVYDWIXSULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-26-19-6-3-2-5-18(19)23-14-12-22(13-15-23)17-8-10-24(11-9-17)21(25)20-7-4-16-27-20/h2-7,16-17H,8-15H2,1H3.
What are the key properties of [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 385.53 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 660959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).