2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid

C20H24N4O4 — CID 156507226

IUPAC2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
SMILESCn1nc([C@H]2CCC(=O)NC2=O)c2ccc(N3CCC(CC(=O)O)CC3)cc21
InChIInChI=1S/C20H24N4O4/c1-23-16-11-13(24-8-6-12(7-9-24)10-18(26)27)2-3-14(16)19(22-23)15-4-5-17(25)21-20(15)28/h2-3,11-12,15H,4-10H2,1H3,(H,26,27)(H,21,25,28)/t15-/m1/s1
InChIKeyBOGROPGQWBOCAK-OAHLLOKOSA-N
MW384.44 g/mol
LogP1.78
Rot. Bonds4

About 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid

2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid (PubChem CID 156507226) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
PubChem CID156507226
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
SMILESCn1nc([C@H]2CCC(=O)NC2=O)c2ccc(N3CCC(CC(=O)O)CC3)cc21
InChIInChI=1S/C20H24N4O4/c1-23-16-11-13(24-8-6-12(7-9-24)10-18(26)27)2-3-14(16)19(22-23)15-4-5-17(25)21-20(15)28/h2-3,11-12,15H,4-10H2,1H3,(H,26,27)(H,21,25,28)/t15-/m1/s1
InChIKeyBOGROPGQWBOCAK-OAHLLOKOSA-N
XLogP1.78
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid
CID 167308882
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate;hydrofluoride
CID 178160958
4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
CID 178160939
3-[1-methyl-6-[3-(piperidin-4-ylmethyl)pyrrolidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170629938
3-[6-[4-(4-cyclohexylbutyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632297
ethyl (2R,4S)-4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-2-methylpiperidine-1-carboxylate
CID 178160908
3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434898
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 178161660
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 178161127
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-[6-[4-[difluoro(piperidin-4-yl)methyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 178161716
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid (CID 156507226) is 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid is Cn1nc([C@H]2CCC(=O)NC2=O)c2ccc(N3CCC(CC(=O)O)CC3)cc21.
What is the InChIKey of 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid?
The InChIKey is BOGROPGQWBOCAK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-23-16-11-13(24-8-6-12(7-9-24)10-18(26)27)2-3-14(16)19(22-23)15-4-5-17(25)21-20(15)28/h2-3,11-12,15H,4-10H2,1H3,(H,26,27)(H,21,25,28)/t15-/m1/s1.
What are the key properties of 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid?
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid has a molecular weight of 384.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 156507226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).