2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate

C18H33N3O5 — CID 68908042

IUPAC2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
SMILESC[C@@H]1CN(C(=O)OCCN2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1
InChIInChI=1S/C18H33N3O5/c1-14-12-21(13-15(2)25-14)16(22)24-11-10-19-6-8-20(9-7-19)17(23)26-18(3,4)5/h14-15H,6-13H2,1-5H3/t14-,15+
InChIKeyRXGFLACTCYYUER-GASCZTMLSA-N
MW371.48 g/mol
LogP1.78
Rot. Bonds3

About 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate

2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate (PubChem CID 68908042) has the molecular formula C18H33N3O5 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
PubChem CID68908042
Molecular FormulaC18H33N3O5
Molecular Weight371.48 g/mol
Exact Mass371.24
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
SMILESC[C@@H]1CN(C(=O)OCCN2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1
InChIInChI=1S/C18H33N3O5/c1-14-12-21(13-15(2)25-14)16(22)24-11-10-19-6-8-20(9-7-19)17(23)26-18(3,4)5/h14-15H,6-13H2,1-5H3/t14-,15+
InChIKeyRXGFLACTCYYUER-GASCZTMLSA-N
XLogP1.78
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate (CID 68908042) is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate is C[C@@H]1CN(C(=O)OCCN2CCN(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate?
The InChIKey is RXGFLACTCYYUER-GASCZTMLSA-N. The full InChI is InChI=1S/C18H33N3O5/c1-14-12-21(13-15(2)25-14)16(22)24-11-10-19-6-8-20(9-7-19)17(23)26-18(3,4)5/h14-15H,6-13H2,1-5H3/t14-,15+.
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate?
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate is sourced from PubChem (CID 68908042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).