tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate

C14H25N3O4 — CID 10017629

IUPACtert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-14(2,3)21-13(19)17-6-4-15(5-7-17)12(18)16-8-10-20-11-9-16/h4-11H2,1-3H3
InChIKeyBFPYLKMLSYLUJO-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.99
Rot. Bonds

About tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate (PubChem CID 10017629) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
PubChem CID10017629
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nametert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C14H25N3O4/c1-14(2,3)21-13(19)17-6-4-15(5-7-17)12(18)16-8-10-20-11-9-16/h4-11H2,1-3H3
InChIKeyBFPYLKMLSYLUJO-UHFFFAOYSA-N
XLogP0.99
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
CID 669633
(4-Ethylpiperazin-1-yl)(morpholin-4-yl)methanone
CID 3148015
(4-Methylpiperazin-1-yl)(morpholin-4-yl)methanone
CID 735602
2-Methylpropyl 4-(2-morpholin-4-ylethyl)piperazine-1-carboxylate
CID 56805019
1-(t-Butyloxycarbonyl)-4-(4-morpholinecarbonyl)-1,4-diazepane
CID 15538285
4-[[4-(1,1-Dimethylethoxycarbonyl)-1-piperazinyl]carbonyl]-1-methylpiperazine
CID 18321587
tert-butyl N-methyl-N-[4-[methyl(morpholine-4-carbonyl)amino]butyl]carbamate
CID 19753787
N-t-butoxycarbonyl-N'-(morpholinocarbonyl)-N,N'-dimethylethylenediamine
CID 19753841
tert-butyl N-methyl-N-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamate
CID 19753893
4-(Morpholine-4-carbonyl)piperazine-1-carboxylic acid
CID 21716250
Tert-butyl 4-(4-methylmorpholin-2-ylmethyl)piperazine-1-carboxylate
CID 23079658
Tert-butyl 4-(2-morpholino-2-oxoethyl)piperazine-1-carboxylate
CID 46743080

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate (CID 10017629) is tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate?
The InChIKey is BFPYLKMLSYLUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,3)21-13(19)17-6-4-15(5-7-17)12(18)16-8-10-20-11-9-16/h4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 10017629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).