tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate

C24H30N4O2 — CID 70979242

IUPACtert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ncc2cc(NC3CCCN(Cc4ccccc4)C3)ccc21
InChIInChI=1S/C24H30N4O2/c1-24(2,3)30-23(29)28-22-12-11-20(14-19(22)15-25-28)26-21-10-7-13-27(17-21)16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15,21,26H,7,10,13,16-17H2,1-3H3
InChIKeyXDNJXZLCSCGGAB-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.90
Rot. Bonds4

About tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate

tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate (PubChem CID 70979242) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate
PubChem CID70979242
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Nametert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ncc2cc(NC3CCCN(Cc4ccccc4)C3)ccc21
InChIInChI=1S/C24H30N4O2/c1-24(2,3)30-23(29)28-22-12-11-20(14-19(22)15-25-28)26-21-10-7-13-27(17-21)16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15,21,26H,7,10,13,16-17H2,1-3H3
InChIKeyXDNJXZLCSCGGAB-UHFFFAOYSA-N
XLogP4.90
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 5-[[(3S)-piperidin-3-yl]amino]indazole-1-carboxylate
CID 97056352
tert-butyl 5-[[1-(4-acetamidophenyl)piperidin-3-yl]amino]indazole-1-carboxylate;molecular hydrogen
CID 143370372
tert-butyl 5-[[1-[4-[(1-fluoro-1-fluorooxyethyl)sulfanylamino]phenyl]piperidin-3-yl]amino]indazole-1-carboxylate
CID 143370581
N-(1-benzylpiperidin-4-yl)-1-methylindazol-5-amine
CID 22933598
3-[[1-[(4-methoxyphenyl)methyl]indazol-5-yl]amino]piperidine-1-carboxylic acid
CID 66716346
N-(1-benzylpiperidin-3-yl)-2-chloropyridin-4-amine
CID 80522263
6-[[(3R)-1-benzylpiperidin-3-yl]amino]-2H-isoquinolin-1-one
CID 59290566
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
1-[3-[(3-anilinopiperidin-1-yl)methyl]phenyl]ethanone
CID 45214467
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
4-[(1-benzylpiperidin-3-yl)amino]-2-methylbenzenecarbothioamide
CID 113259599

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate?
The IUPAC name of tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate (CID 70979242) is tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate is CC(C)(C)OC(=O)n1ncc2cc(NC3CCCN(Cc4ccccc4)C3)ccc21.
What is the InChIKey of tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate?
The InChIKey is XDNJXZLCSCGGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-24(2,3)30-23(29)28-22-12-11-20(14-19(22)15-25-28)26-21-10-7-13-27(17-21)16-18-8-5-4-6-9-18/h4-6,8-9,11-12,14-15,21,26H,7,10,13,16-17H2,1-3H3.
What are the key properties of tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate?
tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate has a molecular weight of 406.53 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(1-benzylpiperidin-3-yl)amino]indazole-1-carboxylate is sourced from PubChem (CID 70979242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).