tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate

C19H29N3O2 — CID 57337073

IUPACtert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)n1ncc2c1C=CC1(CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C19H29N3O2/c1-14(2)22-16-6-7-19(12-15(16)13-20-22)8-10-21(11-9-19)17(23)24-18(3,4)5/h6-7,13-14H,8-12H2,1-5H3
InChIKeyBHEGYIASVKXQPS-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.05
Rot. Bonds1

About tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate

tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 57337073) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
PubChem CID57337073
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Nametert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)n1ncc2c1C=CC1(CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C19H29N3O2/c1-14(2)22-16-6-7-19(12-15(16)13-20-22)8-10-21(11-9-19)17(23)24-18(3,4)5/h6-7,13-14H,8-12H2,1-5H3
InChIKeyBHEGYIASVKXQPS-UHFFFAOYSA-N
XLogP4.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-(1-methyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 91604925
tert-butyl (4aS)-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-6-carboxylate
CID 58333348
Tert-butyl 1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline-6-carboxylate
CID 67096761
tert-butyl 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 118570109
tert-butyl N-[2-[[3-[4,4-bis(fluoromethyl)cyclohexen-1-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
CID 118971577
tert-butyl 3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484033
tert-butyl 3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121484260
tert-butyl 3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419936
tert-butyl 3-(2,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419939
tert-butyl (6R)-3-(4-fluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419944
tert-butyl 3-(2-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419947
tert-butyl (6S)-3-(4-fluorophenyl)-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419949

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate (CID 57337073) is tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate is CC(C)n1ncc2c1C=CC1(CCN(C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is BHEGYIASVKXQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)22-16-6-7-19(12-15(16)13-20-22)8-10-21(11-9-19)17(23)24-18(3,4)5/h6-7,13-14H,8-12H2,1-5H3.
What are the key properties of tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 57337073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).