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

C17H24N2O3S — CID 71884191

IUPACtert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2C2CC2)CC1
InChIInChI=1S/C17H24N2O3S/c1-17(2,3)22-16(21)19-9-7-18(8-10-19)15(20)14-13(6-11-23-14)12-4-5-12/h6,11-12H,4-5,7-10H2,1-3H3
InChIKeyLYWKRIACLPNCFN-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.32
Rot. Bonds2

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

tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate (PubChem CID 71884191) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate
PubChem CID71884191
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Nametert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2C2CC2)CC1
InChIInChI=1S/C17H24N2O3S/c1-17(2,3)22-16(21)19-9-7-18(8-10-19)15(20)14-13(6-11-23-14)12-4-5-12/h6,11-12H,4-5,7-10H2,1-3H3
InChIKeyLYWKRIACLPNCFN-UHFFFAOYSA-N
XLogP3.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate (CID 71884191) is tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2sccc2C2CC2)CC1.
What is the InChIKey of tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is LYWKRIACLPNCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-17(2,3)22-16(21)19-9-7-18(8-10-19)15(20)14-13(6-11-23-14)12-4-5-12/h6,11-12H,4-5,7-10H2,1-3H3.
What are the key properties of tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 336.46 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-cyclopropylthiophene-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 71884191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).