N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide

C34H37N5O5 — CID 155163125

About N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide

N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide (PubChem CID 155163125) has the molecular formula C34H37N5O5 and a molecular weight of 595.70 g/mol. Its IUPAC name is N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide
• PubChem CID: 155163125
• Molecular Formula: C34H37N5O5
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.28
• IUPAC Name: N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2ccc3ncn(CC4CCN(C(=O)C5CCC(O)CC5c5ccccc5)CC4)c(=O)c3n2)cc1
• InChI: InChI=1S/C34H37N5O5/c1-44-26-10-7-24(8-11-26)32(41)37-30-14-13-29-31(36-30)34(43)39(21-35-29)20-22-15-17-38(18-16-22)33(42)27-12-9-25(40)19-28(27)23-5-3-2-4-6-23/h2-8,10-11,13-14,21-22,25,27-28,40H,9,12,15-20H2,1H3,(H,36,37,41)
• InChIKey: XYWLBMSMJALSRV-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 126.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide?

The IUPAC name of N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide (CID 155163125) is N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide.

What is the SMILES notation for N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide?

The canonical SMILES for N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3ncn(CC4CCN(C(=O)C5CCC(O)CC5c5ccccc5)CC4)c(=O)c3n2)cc1.

What is the InChIKey of N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide?

The InChIKey is XYWLBMSMJALSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O5/c1-44-26-10-7-24(8-11-26)32(41)37-30-14-13-29-31(36-30)34(43)39(21-35-29)20-22-15-17-38(18-16-22)33(42)27-12-9-25(40)19-28(27)23-5-3-2-4-6-23/h2-8,10-11,13-14,21-22,25,27-28,40H,9,12,15-20H2,1H3,(H,36,37,41).

What are the key properties of N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide?

N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide has a molecular weight of 595.70 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[1-(4-hydroxy-2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-4-oxopyrido[3,2-d]pyrimidin-6-yl]-4-methoxybenzamide is sourced from PubChem (CID 155163125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).