ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate

C23H37N3O3 — CID 74441655

About ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate

ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate (PubChem CID 74441655) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate
• PubChem CID: 74441655
• Molecular Formula: C23H37N3O3
• Molecular Weight: 403.57 g/mol
• Exact Mass: 403.28
• IUPAC Name: ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate
• SMILES: CCOC(=O)C1(Cc2cccc(OC)c2)CCCN(CC2CC(C(C)C)NN2)C1
• InChI: InChI=1S/C23H37N3O3/c1-5-29-22(27)23(14-18-8-6-9-20(12-18)28-4)10-7-11-26(16-23)15-19-13-21(17(2)3)25-24-19/h6,8-9,12,17,19,21,24-25H,5,7,10-11,13-16H2,1-4H3
• InChIKey: PPTUJHYCKZAFFT-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.57
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate?

The IUPAC name of ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate (CID 74441655) is ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate.

What is the SMILES notation for ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate?

The canonical SMILES for ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2cccc(OC)c2)CCCN(CC2CC(C(C)C)NN2)C1.

What is the InChIKey of ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate?

The InChIKey is PPTUJHYCKZAFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c1-5-29-22(27)23(14-18-8-6-9-20(12-18)28-4)10-7-11-26(16-23)15-19-13-21(17(2)3)25-24-19/h6,8-9,12,17,19,21,24-25H,5,7,10-11,13-16H2,1-4H3.

What are the key properties of ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate?

ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate has a molecular weight of 403.57 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[(3-methoxyphenyl)methyl]-1-[(5-propan-2-ylpyrazolidin-3-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 74441655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).