[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone

C26H32N4O2S — CID 46396482

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)C2CCCN(c3nccc4sc(C)cc34)C2)CC1
InChIInChI=1S/C26H32N4O2S/c1-3-32-23-9-5-4-8-22(23)28-13-15-29(16-14-28)26(31)20-7-6-12-30(18-20)25-21-17-19(2)33-24(21)10-11-27-25/h4-5,8-11,17,20H,3,6-7,12-16,18H2,1-2H3
InChIKeyVKJPSVRGEWYOOI-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.57
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone (PubChem CID 46396482) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
PubChem CID46396482
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)C2CCCN(c3nccc4sc(C)cc34)C2)CC1
InChIInChI=1S/C26H32N4O2S/c1-3-32-23-9-5-4-8-22(23)28-13-15-29(16-14-28)26(31)20-7-6-12-30(18-20)25-21-17-19(2)33-24(21)10-11-27-25/h4-5,8-11,17,20H,3,6-7,12-16,18H2,1-2H3
InChIKeyVKJPSVRGEWYOOI-UHFFFAOYSA-N
XLogP4.57
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone (CID 46396482) is [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone is CCOc1ccccc1N1CCN(C(=O)C2CCCN(c3nccc4sc(C)cc34)C2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone?
The InChIKey is VKJPSVRGEWYOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-3-32-23-9-5-4-8-22(23)28-13-15-29(16-14-28)26(31)20-7-6-12-30(18-20)25-21-17-19(2)33-24(21)10-11-27-25/h4-5,8-11,17,20H,3,6-7,12-16,18H2,1-2H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone has a molecular weight of 464.64 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 46396482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).