[(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone

C23H43N3O2 — CID 176797111

About [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone

[(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone (PubChem CID 176797111) has the molecular formula C23H43N3O2 and a molecular weight of 393.62 g/mol. Its IUPAC name is [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
• PubChem CID: 176797111
• Molecular Formula: C23H43N3O2
• Molecular Weight: 393.62 g/mol
• Exact Mass: 393.34
• IUPAC Name: [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
• SMILES: COC[C@H]1CN(C2CCC(C(C)C)CC2)CCN1C(=O)[C@H]1CCN(C(C)C)C1
• InChI: InChI=1S/C23H43N3O2/c1-17(2)19-6-8-21(9-7-19)25-12-13-26(22(15-25)16-28-5)23(27)20-10-11-24(14-20)18(3)4/h17-22H,6-16H2,1-5H3/t19?,20-,21?,22+/m0/s1
• InChIKey: ZVOJDJYPBATFPC-OEXSPLCWSA-N
• XLogP: 3.09
• TPSA: 36.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.62
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone?

The IUPAC name of [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone (CID 176797111) is [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone.

What is the SMILES notation for [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone?

The canonical SMILES for [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone is COC[C@H]1CN(C2CCC(C(C)C)CC2)CCN1C(=O)[C@H]1CCN(C(C)C)C1.

What is the InChIKey of [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone?

The InChIKey is ZVOJDJYPBATFPC-OEXSPLCWSA-N. The full InChI is InChI=1S/C23H43N3O2/c1-17(2)19-6-8-21(9-7-19)25-12-13-26(22(15-25)16-28-5)23(27)20-10-11-24(14-20)18(3)4/h17-22H,6-16H2,1-5H3/t19?,20-,21?,22+/m0/s1.

What are the key properties of [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone?

[(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone has a molecular weight of 393.62 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone is sourced from PubChem (CID 176797111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).