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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Related Compounds

tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylate
CID 71299236
tert-butyl N-(5-(difluoromethyl)-1-(piperidin-4-yl)-1H-pyrazol-4-yl)carbamate
CID 138005997
tert-butyl N-(1-(piperidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)carbamate
CID 138047230
tert-butyl N-(3-(piperidin-2-yl)-1H-pyrazol-4-yl)carbamate
CID 138991379
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
CID 86794469
tert-butyl (2R,3R)-3-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-2-methylpiperidine-1-carboxylate
CID 126813145
tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 126837311
N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-4-[(2-oxoimidazolidin-1-yl)methyl]piperidine-1-carboxamide
CID 138025197
Tert-butyl 3-(4-amino-5-methylpyrazol-1-yl)-4,4-difluoropiperidine-1-carboxylate
CID 118288973
Tert-butyl 6-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 135342036
Tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 135342070
tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate
CID 140667668

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).