tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate

C15H24N4O3 — CID 56810681

IUPACtert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)18-11-9-17(10-12-18)13(20)5-8-19-7-4-6-16-19/h4,6-7H,5,8-12H2,1-3H3
InChIKeyLMSRRXOFPGFUHA-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.35
Rot. Bonds3

About tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate

tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate (PubChem CID 56810681) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate
PubChem CID56810681
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Nametert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)18-11-9-17(10-12-18)13(20)5-8-19-7-4-6-16-19/h4,6-7H,5,8-12H2,1-3H3
InChIKeyLMSRRXOFPGFUHA-UHFFFAOYSA-N
XLogP1.35
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate (CID 56810681) is tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cccn2)CC1.
What is the InChIKey of tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate?
The InChIKey is LMSRRXOFPGFUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-15(2,3)22-14(21)18-11-9-17(10-12-18)13(20)5-8-19-7-4-6-16-19/h4,6-7H,5,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate?
tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-pyrazol-1-ylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 56810681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).