tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate

C24H28N4O3 — CID 59850228

IUPACtert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(-n3ncc4ccccc43)cc2)CC1
InChIInChI=1S/C24H28N4O3/c1-24(2,3)31-23(30)27-14-12-19(13-15-27)26-22(29)17-8-10-20(11-9-17)28-21-7-5-4-6-18(21)16-25-28/h4-11,16,19H,12-15H2,1-3H3,(H,26,29)
InChIKeyZEODDROGJHLQAB-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.15
Rot. Bonds3

About tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate (PubChem CID 59850228) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate
PubChem CID59850228
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Nametert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(-n3ncc4ccccc43)cc2)CC1
InChIInChI=1S/C24H28N4O3/c1-24(2,3)31-23(30)27-14-12-19(13-15-27)26-22(29)17-8-10-20(11-9-17)28-21-7-5-4-6-18(21)16-25-28/h4-11,16,19H,12-15H2,1-3H3,(H,26,29)
InChIKeyZEODDROGJHLQAB-UHFFFAOYSA-N
XLogP4.15
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
tert-butyl 4-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731132
tert-butyl 4-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731094
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 3-[(4-pyrazol-1-ylbenzoyl)amino]pyrrolidine-1-carboxylate
CID 68737369
tert-butyl 4-(benzoylcarbamothioylamino)piperidine-1-carboxylate
CID 75480976
imino-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]phenyl]iminoazanium
CID 137439141
tert-butyl 4-[(4-fluorobenzoyl)amino]piperidine-1-carboxylate;4-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 158658010
tert-butyl 4-[[4-(methylsulfonylmethyl)benzoyl]amino]piperidine-1-carboxylate
CID 55985019
tert-butyl 3-(4-benzamidopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 24575440
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate (CID 59850228) is tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(-n3ncc4ccccc43)cc2)CC1.
What is the InChIKey of tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is ZEODDROGJHLQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-24(2,3)31-23(30)27-14-12-19(13-15-27)26-22(29)17-8-10-20(11-9-17)28-21-7-5-4-6-18(21)16-25-28/h4-11,16,19H,12-15H2,1-3H3,(H,26,29).
What are the key properties of tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 420.51 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-indazol-1-ylbenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 59850228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).