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

C25H30N4O2S — CID 46396512

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)C2CCCN(c3nccc4sccc34)C2)CC1
InChIInChI=1S/C25H30N4O2S/c1-2-31-22-8-4-3-7-21(22)27-13-15-28(16-14-27)25(30)19-6-5-12-29(18-19)24-20-10-17-32-23(20)9-11-26-24/h3-4,7-11,17,19H,2,5-6,12-16,18H2,1H3
InChIKeyUCARVRVMNFRSOU-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.26
Rot. Bonds5

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

[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone (PubChem CID 46396512) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
PubChem CID46396512
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)C2CCCN(c3nccc4sccc34)C2)CC1
InChIInChI=1S/C25H30N4O2S/c1-2-31-22-8-4-3-7-21(22)27-13-15-28(16-14-27)25(30)19-6-5-12-29(18-19)24-20-10-17-32-23(20)9-11-26-24/h3-4,7-11,17,19H,2,5-6,12-16,18H2,1H3
InChIKeyUCARVRVMNFRSOU-UHFFFAOYSA-N
XLogP4.26
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.26
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-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone (CID 46396512) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone is CCOc1ccccc1N1CCN(C(=O)C2CCCN(c3nccc4sccc34)C2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
The InChIKey is UCARVRVMNFRSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-2-31-22-8-4-3-7-21(22)27-13-15-28(16-14-27)25(30)19-6-5-12-29(18-19)24-20-10-17-32-23(20)9-11-26-24/h3-4,7-11,17,19H,2,5-6,12-16,18H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone has a molecular weight of 450.61 g/mol, XLogP of 4.26, 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-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 46396512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).