3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one

C28H30N2O2S — CID 46410125

About 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one

3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 46410125) has the molecular formula C28H30N2O2S and a molecular weight of 458.63 g/mol. Its IUPAC name is 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one
• PubChem CID: 46410125
• Molecular Formula: C28H30N2O2S
• Molecular Weight: 458.63 g/mol
• Exact Mass: 458.20
• IUPAC Name: 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one
• SMILES: O=C(CCc1ccccc1)N1CCC(C(=O)N2CCc3sccc3C2c2ccccc2)CC1
• InChI: InChI=1S/C28H30N2O2S/c31-26(12-11-21-7-3-1-4-8-21)29-17-13-23(14-18-29)28(32)30-19-15-25-24(16-20-33-25)27(30)22-9-5-2-6-10-22/h1-10,16,20,23,27H,11-15,17-19H2
• InChIKey: IXDOXPSWHCPGGT-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.63
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one (CID 46410125) is 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCC(C(=O)N2CCc3sccc3C2c2ccccc2)CC1.

What is the InChIKey of 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one?

The InChIKey is IXDOXPSWHCPGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2S/c31-26(12-11-21-7-3-1-4-8-21)29-17-13-23(14-18-29)28(32)30-19-15-25-24(16-20-33-25)27(30)22-9-5-2-6-10-22/h1-10,16,20,23,27H,11-15,17-19H2.

What are the key properties of 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one?

3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 458.63 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-1-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 46410125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).