ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate

C26H34N4O5 — CID 93134976

About ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate (PubChem CID 93134976) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate
• PubChem CID: 93134976
• Molecular Formula: C26H34N4O5
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.25
• IUPAC Name: ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate
• SMILES: CCOC(=O)C1CCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccc(C)cc2C)NC(=O)N3CC)CC1
• InChI: InChI=1S/C26H34N4O5/c1-5-30-20-14-29(15-21(31)28-11-9-18(10-12-28)25(33)35-6-2)24(32)22(20)23(27-26(30)34)19-8-7-16(3)13-17(19)4/h7-8,13,18,23H,5-6,9-12,14-15H2,1-4H3,(H,27,34)/t23-/m1/s1
• InChIKey: USSUDKHCMRVUOF-HSZRJFAPSA-N
• XLogP: 2.29
• TPSA: 99.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate?

The IUPAC name of ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate (CID 93134976) is ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate.

What is the SMILES notation for ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate?

The canonical SMILES for ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN2CC3=C(C2=O)[C@@H](c2ccc(C)cc2C)NC(=O)N3CC)CC1.

What is the InChIKey of ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate?

The InChIKey is USSUDKHCMRVUOF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-5-30-20-14-29(15-21(31)28-11-9-18(10-12-28)25(33)35-6-2)24(32)22(20)23(27-26(30)34)19-8-7-16(3)13-17(19)4/h7-8,13,18,23H,5-6,9-12,14-15H2,1-4H3,(H,27,34)/t23-/m1/s1.

What are the key properties of ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate?

ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 482.58 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[2-[(4R)-4-(2,4-dimethylphenyl)-1-ethyl-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 93134976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).