tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid

C46H87N9O11 — CID 157108507

About tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid

tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid (PubChem CID 157108507) has the molecular formula C46H87N9O11 and a molecular weight of 942.25 g/mol. Its IUPAC name is tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid.

Molecular Properties

• Compound Name: tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
• PubChem CID: 157108507
• Molecular Formula: C46H87N9O11
• Molecular Weight: 942.25 g/mol
• Exact Mass: 941.65
• IUPAC Name: tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
• SMILES: CC(C)(C)OC(=O)N1CCN(CC(=O)O)CC1.CC1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)CC(C)O1.CC1CN(C(=O)CN2CCNCC2)CC(C)O1.CC1CNCC(C)O1
• InChI: InChI=1S/C17H31N3O4.C12H23N3O2.C11H20N2O4.C6H13NO/c1-13-10-20(11-14(2)23-13)15(21)12-18-6-8-19(9-7-18)16(22)24-17(3,4)5;1-10-7-15(8-11(2)17-10)12(16)9-14-5-3-13-4-6-14;1-11(2,3)17-10(16)13-6-4-12(5-7-13)8-9(14)15;1-5-3-7-4-6(2)8-5/h13-14H,6-12H2,1-5H3;10-11,13H,3-9H2,1-2H3;4-8H2,1-3H3,(H,14,15);5-7H,3-4H2,1-2H3
• InChIKey: AGOQOJGLAHAREI-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 198.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.25
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid?

The IUPAC name of tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid (CID 157108507) is tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid.

What is the SMILES notation for tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid?

The canonical SMILES for tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid is CC(C)(C)OC(=O)N1CCN(CC(=O)O)CC1.CC1CN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)CC(C)O1.CC1CN(C(=O)CN2CCNCC2)CC(C)O1.CC1CNCC(C)O1.

What is the InChIKey of tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid?

The InChIKey is AGOQOJGLAHAREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4.C12H23N3O2.C11H20N2O4.C6H13NO/c1-13-10-20(11-14(2)23-13)15(21)12-18-6-8-19(9-7-18)16(22)24-17(3,4)5;1-10-7-15(8-11(2)17-10)12(16)9-14-5-3-13-4-6-14;1-11(2,3)17-10(16)13-6-4-12(5-7-13)8-9(14)15;1-5-3-7-4-6(2)8-5/h13-14H,6-12H2,1-5H3;10-11,13H,3-9H2,1-2H3;4-8H2,1-3H3,(H,14,15);5-7H,3-4H2,1-2H3.

What are the key properties of tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid?

tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid has a molecular weight of 942.25 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate;2,6-dimethylmorpholine;1-(2,6-dimethylmorpholin-4-yl)-2-piperazin-1-ylethanone;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 157108507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).