ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate

C22H37N5O2 — CID 28955767

About ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate

ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate (PubChem CID 28955767) has the molecular formula C22H37N5O2 and a molecular weight of 403.57 g/mol. Its IUPAC name is ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
• PubChem CID: 28955767
• Molecular Formula: C22H37N5O2
• Molecular Weight: 403.57 g/mol
• Exact Mass: 403.29
• IUPAC Name: ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
• SMILES: CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cn[nH]c3C3CCCCC3)C2)CC1
• InChI: InChI=1S/C22H37N5O2/c1-2-29-22(28)27-13-11-26(12-14-27)20-9-6-10-25(17-20)16-19-15-23-24-21(19)18-7-4-3-5-8-18/h15,18,20H,2-14,16-17H2,1H3,(H,23,24)/t20-/m1/s1
• InChIKey: XFULBQISULUWKO-HXUWFJFHSA-N
• XLogP: 3.20
• TPSA: 64.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.57
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate?

The IUPAC name of ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate (CID 28955767) is ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate.

What is the SMILES notation for ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate?

The canonical SMILES for ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@@H]2CCCN(Cc3cn[nH]c3C3CCCCC3)C2)CC1.

What is the InChIKey of ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate?

The InChIKey is XFULBQISULUWKO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H37N5O2/c1-2-29-22(28)27-13-11-26(12-14-27)20-9-6-10-25(17-20)16-19-15-23-24-21(19)18-7-4-3-5-8-18/h15,18,20H,2-14,16-17H2,1H3,(H,23,24)/t20-/m1/s1.

What are the key properties of ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate?

ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate has a molecular weight of 403.57 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[(3R)-1-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 28955767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).