tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate

C23H31N5O4 — CID 170629691

IUPACtert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21
InChIInChI=1S/C23H31N5O4/c1-23(2,3)32-22(31)28-11-5-6-15(13-28)24-14-7-8-16-18(12-14)27(4)26-20(16)17-9-10-19(29)25-21(17)30/h7-8,12,15,17,24H,5-6,9-11,13H2,1-4H3,(H,25,29,30)/t15-,17?/m1/s1
InChIKeyBLOOVSYDOSVZRA-LDCVWXEPSA-N
MW441.53 g/mol
LogP2.90
Rot. Bonds3

About tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate (PubChem CID 170629691) has the molecular formula C23H31N5O4 and a molecular weight of 441.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate
PubChem CID170629691
Molecular FormulaC23H31N5O4
Molecular Weight441.53 g/mol
Exact Mass441.24
IUPAC Nametert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21
InChIInChI=1S/C23H31N5O4/c1-23(2,3)32-22(31)28-11-5-6-15(13-28)24-14-7-8-16-18(12-14)27(4)26-20(16)17-9-10-19(29)25-21(17)30/h7-8,12,15,17,24H,5-6,9-11,13H2,1-4H3,(H,25,29,30)/t15-,17?/m1/s1
InChIKeyBLOOVSYDOSVZRA-LDCVWXEPSA-N
XLogP2.90
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

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 4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]oxypiperidine-1-carboxylate
CID 170321392
tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane
CID 178160748
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperazine-1-carboxylate
CID 170322178
(3R,4S)-4-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]-3-(trifluoromethyl)piperidine-1-carboxylic acid
CID 170313763
tert-butyl 3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 178161570
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 3-(3,4-dichloroanilino)piperidine-1-carboxylate
CID 103648711
3-[6-(5-azaspiro[3.5]nonan-8-ylamino)-1-methylindazol-3-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 170313758
tert-butyl (2S,4S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 170617163
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 178017552
tert-butyl 2-tert-butyl-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidine-1-carboxylate
CID 156508070

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate (CID 170629691) is tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate is Cn1nc(C2CCC(=O)NC2=O)c2ccc(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)cc21.
What is the InChIKey of tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate?
The InChIKey is BLOOVSYDOSVZRA-LDCVWXEPSA-N. The full InChI is InChI=1S/C23H31N5O4/c1-23(2,3)32-22(31)28-11-5-6-15(13-28)24-14-7-8-16-18(12-14)27(4)26-20(16)17-9-10-19(29)25-21(17)30/h7-8,12,15,17,24H,5-6,9-11,13H2,1-4H3,(H,25,29,30)/t15-,17?/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate has a molecular weight of 441.53 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 170629691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).