tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate

C13H25N3O3 — CID 141428340

IUPACtert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)N(C)C
InChIInChI=1S/C13H25N3O3/c1-10-9-15(12(18)19-13(2,3)4)7-8-16(10)11(17)14(5)6/h10H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyBSNIBHUFSMUVEA-SNVBAGLBSA-N
MW271.36 g/mol
LogP1.61
Rot. Bonds

About tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate

tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate (PubChem CID 141428340) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate
PubChem CID141428340
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)N(C)C
InChIInChI=1S/C13H25N3O3/c1-10-9-15(12(18)19-13(2,3)4)7-8-16(10)11(17)14(5)6/h10H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyBSNIBHUFSMUVEA-SNVBAGLBSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2-methoxyacetyl)-3-methylpiperazine-1-carboxylate
CID 110460531
tert-butyl 4-(N'-hydroxycarbamimidoyl)-3-methylpiperazine-1-carboxylate
CID 174991389
tert-butyl 3-methyl-4-(3,4,4-trimethylpentanoyl)piperazine-1-carboxylate
CID 86904160
tert-butyl (3R)-4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazine-1-carboxylate
CID 68937938
tert-butyl (3R)-4-(4-aminobicyclo[2.2.2]octane-1-carbonyl)-3-methylpiperazine-1-carboxylate
CID 178203147
tert-butyl (3S)-3-methyl-4-methylsulfanylpiperazine-1-carboxylate
CID 170266656
tert-butyl 4-(2-aminoacetyl)-2-methylpiperazine-1-carboxylate
CID 66568135
tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 71634868
tert-butyl 4-(4-aminobenzoyl)-3-methylpiperazine-1-carboxylate
CID 168509862
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-sulfinate
CID 143536848
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate (CID 141428340) is tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate is C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)N(C)C.
What is the InChIKey of tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate?
The InChIKey is BSNIBHUFSMUVEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10-9-15(12(18)19-13(2,3)4)7-8-16(10)11(17)14(5)6/h10H,7-9H2,1-6H3/t10-/m1/s1.
What are the key properties of tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate?
tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 141428340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).