4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde

C24H31N5O3 — CID 178160939

IUPAC4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(C4CCN(C=O)CC4)CC3)cc21
InChIInChI=1S/C24H31N5O3/c1-27-21-14-18(2-3-19(21)23(26-27)20-4-5-22(31)25-24(20)32)29-12-8-17(9-13-29)16-6-10-28(15-30)11-7-16/h2-3,14-17,20H,4-13H2,1H3,(H,25,31,32)
InChIKeyWSTHRBPHJAOYGT-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.18
Rot. Bonds4

About 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde

4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde (PubChem CID 178160939) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
PubChem CID178160939
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(C4CCN(C=O)CC4)CC3)cc21
InChIInChI=1S/C24H31N5O3/c1-27-21-14-18(2-3-19(21)23(26-27)20-4-5-22(31)25-24(20)32)29-12-8-17(9-13-29)16-6-10-28(15-30)11-7-16/h2-3,14-17,20H,4-13H2,1H3,(H,25,31,32)
InChIKeyWSTHRBPHJAOYGT-UHFFFAOYSA-N
XLogP2.18
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde with MolForge

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Related Compounds

3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434898
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
3-[6-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 171108214
3-[6-[4-[difluoro(piperidin-4-yl)methyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 178161716
3-[1-methyl-6-[3-(piperidin-4-ylmethyl)pyrrolidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170629938
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
3-[1-methyl-6-[3-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170322501
3-[6-[4-(4-cyclohexylbutyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632297
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate;hydrofluoride
CID 178160958
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 178161660
3-[1-methyl-6-(3-methyl-2-oxopiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 176947865
3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione
CID 169265697

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde (CID 178160939) is 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde is Cn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(C4CCN(C=O)CC4)CC3)cc21.
What is the InChIKey of 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde?
The InChIKey is WSTHRBPHJAOYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-27-21-14-18(2-3-19(21)23(26-27)20-4-5-22(31)25-24(20)32)29-12-8-17(9-13-29)16-6-10-28(15-30)11-7-16/h2-3,14-17,20H,4-13H2,1H3,(H,25,31,32).
What are the key properties of 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde?
4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde has a molecular weight of 437.54 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 178160939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).