tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate

C15H27N3O4 — CID 58117117

IUPACtert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2(C(N)=O)CCOCC2)CC1
InChIInChI=1S/C15H27N3O4/c1-14(2,3)22-13(20)17-6-8-18(9-7-17)15(12(16)19)4-10-21-11-5-15/h4-11H2,1-3H3,(H2,16,19)
InChIKeyBBNCFGMCKMMUBT-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.57
Rot. Bonds2

About tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate

tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate (PubChem CID 58117117) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate
PubChem CID58117117
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Nametert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C2(C(N)=O)CCOCC2)CC1
InChIInChI=1S/C15H27N3O4/c1-14(2,3)22-13(20)17-6-8-18(9-7-17)15(12(16)19)4-10-21-11-5-15/h4-11H2,1-3H3,(H2,16,19)
InChIKeyBBNCFGMCKMMUBT-UHFFFAOYSA-N
XLogP0.57
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 124908861
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CID 162747953
tert-butyl 4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylate;ethane
CID 143680712
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tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
CID 174806734
tert-butyl morpholine-4-carboxylate;propan-1-ol
CID 145379856
tert-butyl pyrrolidine-1-carboxylate;oxan-4-amine
CID 143233414
tert-butyl 4-ethanethioylpiperazine-1-carboxylate
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tert-butyl 4-[1-(2-methylpropyl)cyclopentyl]piperazine-1-carboxylate
CID 71134902
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate (CID 58117117) is tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C2(C(N)=O)CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate?
The InChIKey is BBNCFGMCKMMUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-14(2,3)22-13(20)17-6-8-18(9-7-17)15(12(16)19)4-10-21-11-5-15/h4-11H2,1-3H3,(H2,16,19).
What are the key properties of tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-carbamoyloxan-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 58117117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).