1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid

C16H23N3O2 — CID 123686812

IUPAC1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)n1ncc2c1C=CC1(CCN(C(=O)O)CC1)C2
InChIInChI=1S/C16H23N3O2/c1-15(2,3)19-13-4-5-16(10-12(13)11-17-19)6-8-18(9-7-16)14(20)21/h4-5,11H,6-10H2,1-3H3,(H,20,21)
InChIKeySWHMSCQSMUJZPJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.97
Rot. Bonds

About 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid

1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid (PubChem CID 123686812) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
PubChem CID123686812
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid
SMILESCC(C)(C)n1ncc2c1C=CC1(CCN(C(=O)O)CC1)C2
InChIInChI=1S/C16H23N3O2/c1-15(2,3)19-13-4-5-16(10-12(13)11-17-19)6-8-18(9-7-16)14(20)21/h4-5,11H,6-10H2,1-3H3,(H,20,21)
InChIKeySWHMSCQSMUJZPJ-UHFFFAOYSA-N
XLogP2.97
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]methyl-phenylcarbamic acid
CID 67409687
[1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-prop-2-enylcarbamic acid
CID 67413396
[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-prop-2-enylcarbamic acid
CID 67413397
tert-butyl-[[(5S)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]methyl]carbamic acid
CID 67413398
Tert-butyl 1-isopropyl-1,4-dihydrospiro[indazole-5,4'-piperidine]-1'-carboxylate
CID 57337073
tert-butyl 1-(1,3-dihydroxypropan-2-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252529
tert-butyl 1-(2-ethoxy-2-oxoethyl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252546
tert-butyl 1-(oxetan-3-yl)spiro[4H-indazole-5,4'-piperidine]-1'-carboxylate
CID 58252587
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'-tert-butyl-1-propan-2-ylspiro[4H-indazole-5,4'-piperidine]
CID 67151281

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid (CID 123686812) is 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid is CC(C)(C)n1ncc2c1C=CC1(CCN(C(=O)O)CC1)C2.
What is the InChIKey of 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid?
The InChIKey is SWHMSCQSMUJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-15(2,3)19-13-4-5-16(10-12(13)11-17-19)6-8-18(9-7-16)14(20)21/h4-5,11H,6-10H2,1-3H3,(H,20,21).
What are the key properties of 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid?
1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylspiro[4H-indazole-5,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 123686812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).