2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid

C20H26N4O3 — CID 167308882

IUPAC2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid
SMILESCn1nc([C@@H]2CCCNC2=O)c2ccc(N3CCC(CC(=O)O)CC3)cc21
InChIInChI=1S/C20H26N4O3/c1-23-17-12-14(24-9-6-13(7-10-24)11-18(25)26)4-5-15(17)19(22-23)16-3-2-8-21-20(16)27/h4-5,12-13,16H,2-3,6-11H2,1H3,(H,21,27)(H,25,26)/t16-/m0/s1
InChIKeySGTYSVANKHXNKH-INIZCTEOSA-N
MW370.45 g/mol
LogP2.26
Rot. Bonds4

About 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid

2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid (PubChem CID 167308882) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid
PubChem CID167308882
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid
SMILESCn1nc([C@@H]2CCCNC2=O)c2ccc(N3CCC(CC(=O)O)CC3)cc21
InChIInChI=1S/C20H26N4O3/c1-23-17-12-14(24-9-6-13(7-10-24)11-18(25)26)4-5-15(17)19(22-23)16-3-2-8-21-20(16)27/h4-5,12-13,16H,2-3,6-11H2,1H3,(H,21,27)(H,25,26)/t16-/m0/s1
InChIKeySGTYSVANKHXNKH-INIZCTEOSA-N
XLogP2.26
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid with MolForge

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Related Compounds

2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
2-[1-methyl-3-(2-oxopiperidin-3-yl)indazol-6-yl]acetic acid
CID 170624467
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate;hydrofluoride
CID 178160958
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
4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
CID 178160939
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
ethane;methanol;2-[1-[1-methyl-3-[5-(methylamino)-1,5-dioxopentan-2-yl]indazol-6-yl]piperidin-4-yl]acetic acid
CID 156799215
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
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 178161127
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 178161660
3-[6-[4-[difluoro(piperidin-4-yl)methyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 178161716

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid (CID 167308882) is 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid is Cn1nc([C@@H]2CCCNC2=O)c2ccc(N3CCC(CC(=O)O)CC3)cc21.
What is the InChIKey of 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid?
The InChIKey is SGTYSVANKHXNKH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23-17-12-14(24-9-6-13(7-10-24)11-18(25)26)4-5-15(17)19(22-23)16-3-2-8-21-20(16)27/h4-5,12-13,16H,2-3,6-11H2,1H3,(H,21,27)(H,25,26)/t16-/m0/s1.
What are the key properties of 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid?
2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid has a molecular weight of 370.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-methyl-3-[(3S)-2-oxopiperidin-3-yl]indazol-6-yl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 167308882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).