tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate

C18H30N4O3 — CID 51124303

IUPACtert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H30N4O3/c1-12-15(13(2)21(6)20-12)11-16(23)19-14-7-9-22(10-8-14)17(24)25-18(3,4)5/h14H,7-11H2,1-6H3,(H,19,23)
InChIKeyAILOVCPOKFVFRK-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.10
Rot. Bonds3

About tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 51124303) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID51124303
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Nametert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCc1nn(C)c(C)c1CC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H30N4O3/c1-12-15(13(2)21(6)20-12)11-16(23)19-14-7-9-22(10-8-14)17(24)25-18(3,4)5/h14H,7-11H2,1-6H3,(H,19,23)
InChIKeyAILOVCPOKFVFRK-UHFFFAOYSA-N
XLogP2.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate (CID 51124303) is tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate is Cc1nn(C)c(C)c1CC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is AILOVCPOKFVFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-12-15(13(2)21(6)20-12)11-16(23)19-14-7-9-22(10-8-14)17(24)25-18(3,4)5/h14H,7-11H2,1-6H3,(H,19,23).
What are the key properties of tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 51124303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).