tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate

C19H26N4O2 — CID 113227108

IUPACtert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22-12-4-6-16(14-22)21-15-7-9-17(10-8-15)23-13-5-11-20-23/h5,7-11,13,16,21H,4,6,12,14H2,1-3H3
InChIKeyAZKWXWFEPFGZSE-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate

tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate (PubChem CID 113227108) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate
PubChem CID113227108
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nametert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Nc2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22-12-4-6-16(14-22)21-15-7-9-17(10-8-15)23-13-5-11-20-23/h5,7-11,13,16,21H,4,6,12,14H2,1-3H3
InChIKeyAZKWXWFEPFGZSE-UHFFFAOYSA-N
XLogP3.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 68737369
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl 3-[3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 51064077
tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl 3-(3,5-difluoroanilino)piperidine-1-carboxylate
CID 103625864
tert-butyl 3-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 11150503
tert-butyl (3S)-3-(2-bromoanilino)piperidine-1-carboxylate
CID 97056734
tert-butyl 3-(4-bromo-3,5-dimethylanilino)piperidine-1-carboxylate
CID 107572267
tert-butyl (3S)-3-(pyrimidin-2-ylamino)pyrrolidine-1-carboxylate
CID 71301820
tert-butyl 3-[[5-(hydroxymethyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 150009330

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate (CID 113227108) is tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Nc2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate?
The InChIKey is AZKWXWFEPFGZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22-12-4-6-16(14-22)21-15-7-9-17(10-8-15)23-13-5-11-20-23/h5,7-11,13,16,21H,4,6,12,14H2,1-3H3.
What are the key properties of tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate?
tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-pyrazol-1-ylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 113227108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).