tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate

C17H22N4O3 — CID 31517577

IUPACtert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-10-8-20(9-11-21)15(22)14-12-6-4-5-7-13(12)18-19-14/h4-7H,8-11H2,1-3H3,(H,18,19)
InChIKeyRJCMPDHUOMJEEB-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.26
Rot. Bonds1

About tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate

tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate (PubChem CID 31517577) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
PubChem CID31517577
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Nametert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-10-8-20(9-11-21)15(22)14-12-6-4-5-7-13(12)18-19-14/h4-7H,8-11H2,1-3H3,(H,18,19)
InChIKeyRJCMPDHUOMJEEB-UHFFFAOYSA-N
XLogP2.26
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
tert-butyl 4-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoyl]-1,4-diazepane-1-carboxylate
CID 67090112
tert-butyl 4-[2-chloro-4-[2-(1H-indazol-3-yl)ethenyl]benzoyl]piperazine-1-carboxylate
CID 67090039
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 90772263
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
(2S)-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 95295053
2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858444
1H-indazol-3-yl-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 75374117
tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 52761217
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate (CID 31517577) is tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate?
The InChIKey is RJCMPDHUOMJEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-10-8-20(9-11-21)15(22)14-12-6-4-5-7-13(12)18-19-14/h4-7H,8-11H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate?
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 31517577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).