4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide

C19H20N4OS — CID 136553434

IUPAC4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(Cc3cc4ccncc4s3)CC2)cc1
InChIInChI=1S/C19H20N4OS/c20-19(24)14-1-3-16(4-2-14)23-9-7-22(8-10-23)13-17-11-15-5-6-21-12-18(15)25-17/h1-6,11-12H,7-10,13H2,(H2,20,24)
InChIKeyUXEAELREIJRARB-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.72
Rot. Bonds4

About 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide

4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide (PubChem CID 136553434) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide
PubChem CID136553434
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(Cc3cc4ccncc4s3)CC2)cc1
InChIInChI=1S/C19H20N4OS/c20-19(24)14-1-3-16(4-2-14)23-9-7-22(8-10-23)13-17-11-15-5-6-21-12-18(15)25-17/h1-6,11-12H,7-10,13H2,(H2,20,24)
InChIKeyUXEAELREIJRARB-UHFFFAOYSA-N
XLogP2.72
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide (CID 136553434) is 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(Cc3cc4ccncc4s3)CC2)cc1.
What is the InChIKey of 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide?
The InChIKey is UXEAELREIJRARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c20-19(24)14-1-3-16(4-2-14)23-9-7-22(8-10-23)13-17-11-15-5-6-21-12-18(15)25-17/h1-6,11-12H,7-10,13H2,(H2,20,24).
What are the key properties of 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide?
4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thieno[2,3-c]pyridin-2-ylmethyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 136553434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).