tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate

C16H24N2O3S — CID 71634868

IUPACtert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate
SMILESCc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C16H24N2O3S/c1-11-6-9-22-13(11)14(19)18-8-7-17(10-12(18)2)15(20)21-16(3,4)5/h6,9,12H,7-8,10H2,1-5H3
InChIKeyDAFBMAGPBHONBM-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate

tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate (PubChem CID 71634868) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate
PubChem CID71634868
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nametert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate
SMILESCc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1C
InChIInChI=1S/C16H24N2O3S/c1-11-6-9-22-13(11)14(19)18-8-7-17(10-12(18)2)15(20)21-16(3,4)5/h6,9,12H,7-8,10H2,1-5H3
InChIKeyDAFBMAGPBHONBM-UHFFFAOYSA-N
XLogP3.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxylic acid
CID 66569646
tert-butyl 4-(4-aminobenzoyl)-3-methylpiperazine-1-carboxylate
CID 168509862
tert-butyl (2S)-2-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxylate
CID 97176950
tert-butyl 3-methyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxylate
CID 71163870
tert-butyl N-[(3R)-1-(3-methylthiophene-2-carbonyl)pyrrolidin-3-yl]carbamate
CID 71634241
tert-butyl 4-(2-fluoro-5-hydroxy-4-methylbenzoyl)-3-methylpiperazine-1-carboxylate
CID 171906086
tert-butyl (3R)-4-(dimethylcarbamoyl)-3-methylpiperazine-1-carboxylate
CID 141428340
tert-butyl 4-[methyl-(3-methylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 66519861
methyl 3-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanoate
CID 97333716
tert-butyl (3S)-3-methyl-4-(2-thiophen-3-ylacetyl)piperazine-1-carboxylate
CID 97176946
tert-butyl 3-methyl-4-[(4-methylphenyl)carbamothioyl]piperazine-1-carboxylate
CID 155539086
tert-butyl (3R)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate
CID 146318904

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate (CID 71634868) is tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate is Cc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1C.
What is the InChIKey of tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is DAFBMAGPBHONBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-6-9-22-13(11)14(19)18-8-7-17(10-12(18)2)15(20)21-16(3,4)5/h6,9,12H,7-8,10H2,1-5H3.
What are the key properties of tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 71634868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).