tert-butyl 3-carbamoylpiperazine-1-carboxylate

C10H19N3O3 — CID 11042527

IUPACtert-butyl 3-carbamoylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C(N)=O)C1
InChIInChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-12-7(6-13)8(11)14/h7,12H,4-6H2,1-3H3,(H2,11,14)
InChIKeyRNNSDOSONODDLH-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.32
Rot. Bonds1

About tert-butyl 3-carbamoylpiperazine-1-carboxylate

tert-butyl 3-carbamoylpiperazine-1-carboxylate (PubChem CID 11042527) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl 3-carbamoylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-carbamoylpiperazine-1-carboxylate
PubChem CID11042527
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nametert-butyl 3-carbamoylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C(N)=O)C1
InChIInChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-12-7(6-13)8(11)14/h7,12H,4-6H2,1-3H3,(H2,11,14)
InChIKeyRNNSDOSONODDLH-UHFFFAOYSA-N
XLogP-0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-1-Boc-3-methylpiperazine
CID 7023035
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate
CID 10081508
tert-Butyl 3-methylpiperazine-1-carboxylate
CID 2756810
(R)-1-Boc-3-methylpiperazine
CID 2756811
(s)-Tert-butyl 3-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 9882310
Tert-butyl 3-oxopiperazine-1-carboxylate
CID 3157178
N-(((2-Methyl-2-propanyl)oxy)carbonyl)-L-alanyl-L-alaninamide
CID 5497045
1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
CID 2756819
Tert-butyl 7-oxo-2,5,8-triazaspiro[3.5]nonane-2-carboxylate
CID 124249171
tert-Butyl 2,3-dimethylpiperazine-1-carboxylate
CID 16740581
tert-Butyl 2,5-dimethylpiperazine-1-carboxylate
CID 22625934
Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate
CID 57657568

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-carbamoylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-carbamoylpiperazine-1-carboxylate (CID 11042527) is tert-butyl 3-carbamoylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-carbamoylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-carbamoylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(C(N)=O)C1.
What is the InChIKey of tert-butyl 3-carbamoylpiperazine-1-carboxylate?
The InChIKey is RNNSDOSONODDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-12-7(6-13)8(11)14/h7,12H,4-6H2,1-3H3,(H2,11,14).
What are the key properties of tert-butyl 3-carbamoylpiperazine-1-carboxylate?
tert-butyl 3-carbamoylpiperazine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-carbamoylpiperazine-1-carboxylate is sourced from PubChem (CID 11042527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).