tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

C30H45N5O4 — CID 176911912

IUPACtert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
SMILESCn1nc(C2CCC(O)NC2O)c2ccc(C3CCN(C4CC5(CCN(C(=O)OC(C)(C)C)C5)C4)CC3)cc21
InChIInChI=1S/C30H45N5O4/c1-29(2,3)39-28(38)35-14-11-30(18-35)16-21(17-30)34-12-9-19(10-13-34)20-5-6-22-24(15-20)33(4)32-26(22)23-7-8-25(36)31-27(23)37/h5-6,15,19,21,23,25,27,31,36-37H,7-14,16-18H2,1-4H3
InChIKeyOPCVTKAQOBDDPZ-UHFFFAOYSA-N
MW539.72 g/mol
LogP3.65
Rot. Bonds3

About tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate

tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (PubChem CID 176911912) has the molecular formula C30H45N5O4 and a molecular weight of 539.72 g/mol. Its IUPAC name is tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
PubChem CID176911912
Molecular FormulaC30H45N5O4
Molecular Weight539.72 g/mol
Exact Mass539.35
IUPAC Nametert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
SMILESCn1nc(C2CCC(O)NC2O)c2ccc(C3CCN(C4CC5(CCN(C(=O)OC(C)(C)C)C5)C4)CC3)cc21
InChIInChI=1S/C30H45N5O4/c1-29(2,3)39-28(38)35-14-11-30(18-35)16-21(17-30)34-12-9-19(10-13-34)20-5-6-22-24(15-20)33(4)32-26(22)23-7-8-25(36)31-27(23)37/h5-6,15,19,21,23,25,27,31,36-37H,7-14,16-18H2,1-4H3
InChIKeyOPCVTKAQOBDDPZ-UHFFFAOYSA-N
XLogP3.65
TPSA103.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.72
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118303221
tert-butyl 6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 176911941
tert-butyl 8-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-2-azaspiro[4.5]decane-2-carboxylate
CID 170629792
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 178017552
tert-butyl (2S,4S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 170617163
tert-butyl 4-[[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]cyclohexyl]methyl]piperazine-1-carboxylate
CID 177160946
iodomethyl 2-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 178161350
tert-butyl 4-(1-methylindol-6-yl)piperidine-1-carboxylate
CID 177057091
tert-butyl 2-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 175984559
methyl 1,3-dimethyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indole-2-carboxylate
CID 118378615
tert-butyl 4-[1-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]methyl]pyrazol-4-yl]piperidine-1-carboxylate
CID 178161503
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate (CID 176911912) is tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is Cn1nc(C2CCC(O)NC2O)c2ccc(C3CCN(C4CC5(CCN(C(=O)OC(C)(C)C)C5)C4)CC3)cc21.
What is the InChIKey of tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
The InChIKey is OPCVTKAQOBDDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N5O4/c1-29(2,3)39-28(38)35-14-11-30(18-35)16-21(17-30)34-12-9-19(10-13-34)20-5-6-22-24(15-20)33(4)32-26(22)23-7-8-25(36)31-27(23)37/h5-6,15,19,21,23,25,27,31,36-37H,7-14,16-18H2,1-4H3.
What are the key properties of tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate?
tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate has a molecular weight of 539.72 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[3-(2,6-dihydroxypiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate is sourced from PubChem (CID 176911912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).