tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate

C15H27N3O4 — CID 46743080

IUPACtert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H27N3O4/c1-15(2,3)22-14(20)18-6-4-16(5-7-18)12-13(19)17-8-10-21-11-9-17/h4-12H2,1-3H3
InChIKeyRBDAMLHWRBGCHA-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.40
Rot. Bonds2

About tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate

tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate (PubChem CID 46743080) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate
PubChem CID46743080
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Nametert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H27N3O4/c1-15(2,3)22-14(20)18-6-4-16(5-7-18)12-13(19)17-8-10-21-11-9-17/h4-12H2,1-3H3
InChIKeyRBDAMLHWRBGCHA-UHFFFAOYSA-N
XLogP0.40
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate (CID 46743080) is tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate?
The InChIKey is RBDAMLHWRBGCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-15(2,3)22-14(20)18-6-4-16(5-7-18)12-13(19)17-8-10-21-11-9-17/h4-12H2,1-3H3.
What are the key properties of tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate?
tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxylate is sourced from PubChem (CID 46743080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).