tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate

C19H29N3O4 — CID 58252529

IUPACtert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Cc3c(cnn3C(CO)CO)C2)CC1
InChIInChI=1S/C19H29N3O4/c1-18(2,3)26-17(25)21-8-6-19(7-9-21)5-4-16-14(10-19)11-20-22(16)15(12-23)13-24/h4-5,11,15,23-24H,6-10,12-13H2,1-3H3
InChIKeyIBFZQPHAFPCGSG-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.00
Rot. Bonds3

About tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate

tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate (PubChem CID 58252529) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
PubChem CID58252529
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(C=Cc3c(cnn3C(CO)CO)C2)CC1
InChIInChI=1S/C19H29N3O4/c1-18(2,3)26-17(25)21-8-6-19(7-9-21)5-4-16-14(10-19)11-20-22(16)15(12-23)13-24/h4-5,11,15,23-24H,6-10,12-13H2,1-3H3
InChIKeyIBFZQPHAFPCGSG-UHFFFAOYSA-N
XLogP2.00
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Tert-butyl 1-isopropyl-1,4-dihydrospiro[indazole-5,4'-piperidine]-1'-carboxylate
CID 57337073
tert-butyl 1-(2-ethoxy-2-oxoethyl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252546
diethyl 2-[1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[4H-indazole-5,4'-piperidine]-1-yl]propanedioate
CID 58252585
tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252587
tert-butyl 4-[4-ethyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58486612
1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
CID 66835528
1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
CID 66835556
1-(2-ethoxy-2-oxoethyl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
CID 66835562
1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
CID 89699414
2'-tert-butyl-1-(2-ethoxy-2-oxoethyl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
CID 118519457
tert-butyl 3-(cyclohexen-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419943
tert-butyl 3-(cyclopenten-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
The IUPAC name of tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate (CID 58252529) is tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
The canonical SMILES for tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate is CC(C)(C)OC(=O)N1CCC2(C=Cc3c(cnn3C(CO)CO)C2)CC1.
What is the InChIKey of tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
The InChIKey is IBFZQPHAFPCGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-18(2,3)26-17(25)21-8-6-19(7-9-21)5-4-16-14(10-19)11-20-22(16)15(12-23)13-24/h4-5,11,15,23-24H,6-10,12-13H2,1-3H3.
What are the key properties of tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate?
tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate has a molecular weight of 363.46 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 58252529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).