6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H24N4O2S2 — CID 136796108

About 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796108) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 136796108
• Molecular Formula: C22H24N4O2S2
• Molecular Weight: 440.59 g/mol
• Exact Mass: 440.13
• IUPAC Name: 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: O=C(c1cccs1)N1CCc2nc(C3CCCN(Cc4cccs4)C3)[nH]c(=O)c2C1
• InChI: InChI=1S/C22H24N4O2S2/c27-21-17-14-26(22(28)19-6-3-11-30-19)9-7-18(17)23-20(24-21)15-4-1-8-25(12-15)13-16-5-2-10-29-16/h2-3,5-6,10-11,15H,1,4,7-9,12-14H2,(H,23,24,27)
• InChIKey: BYBAZTMNGCTDQH-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.59
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796108) is 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(c1cccs1)N1CCc2nc(C3CCCN(Cc4cccs4)C3)[nH]c(=O)c2C1.

What is the InChIKey of 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is BYBAZTMNGCTDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c27-21-17-14-26(22(28)19-6-3-11-30-19)9-7-18(17)23-20(24-21)15-4-1-8-25(12-15)13-16-5-2-10-29-16/h2-3,5-6,10-11,15H,1,4,7-9,12-14H2,(H,23,24,27).

What are the key properties of 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 440.59 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(thiophene-2-carbonyl)-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).