tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate

C17H30N4O2 — CID 69090101

IUPACtert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate
SMILESCCc1nn(CC)cc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N4O2/c1-6-14-15(12-21(7-2)19-14)18-13-8-10-20(11-9-13)16(22)23-17(3,4)5/h12-13,18H,6-11H2,1-5H3
InChIKeyXERUZOKQOIXIJY-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.28
Rot. Bonds4

About tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate (PubChem CID 69090101) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate
PubChem CID69090101
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate
SMILESCCc1nn(CC)cc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N4O2/c1-6-14-15(12-21(7-2)19-14)18-13-8-10-20(11-9-13)16(22)23-17(3,4)5/h12-13,18H,6-11H2,1-5H3
InChIKeyXERUZOKQOIXIJY-UHFFFAOYSA-N
XLogP3.28
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate (CID 69090101) is tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate is CCc1nn(CC)cc1NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is XERUZOKQOIXIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-6-14-15(12-21(7-2)19-14)18-13-8-10-20(11-9-13)16(22)23-17(3,4)5/h12-13,18H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1,3-diethylpyrazol-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 69090101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).