3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione

C14H16N4O2 — CID 138460739

IUPAC3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2cc(CN)ccc21
InChIInChI=1S/C14H16N4O2/c1-18-11-4-2-8(7-15)6-10(11)13(17-18)9-3-5-12(19)16-14(9)20/h2,4,6,9H,3,5,7,15H2,1H3,(H,16,19,20)
InChIKeyBBKGYMVBZTVEBQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.55
Rot. Bonds2

About 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione

3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 138460739) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
PubChem CID138460739
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2cc(CN)ccc21
InChIInChI=1S/C14H16N4O2/c1-18-11-4-2-8(7-15)6-10(11)13(17-18)9-3-5-12(19)16-14(9)20/h2,4,6,9H,3,5,7,15H2,1H3,(H,16,19,20)
InChIKeyBBKGYMVBZTVEBQ-UHFFFAOYSA-N
XLogP0.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-ethyl-5-hydroxy-1-methylindazol-3-yl)piperidine-2,6-dione
CID 177160916
3-(1,5-dimethyl-6-propan-2-ylindazol-3-yl)piperidine-2,6-dione
CID 178017694
3-(7-amino-1-methylindazol-3-yl)piperidine-2,6-dione
CID 162510232
3-[6-(aminomethyl)-1,2-benzoxazol-3-yl]piperidine-2,6-dione;hydrochloride
CID 170903448
3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
CID 167239159
3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
CID 178160947
3-(6-ethynyl-5-fluoro-1-methylindazol-3-yl)piperidine-2,6-dione
CID 176508925
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
CID 166168890
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
1-[3-(2,6-dioxopiperidin-3-yl)-5-fluoro-1-methylindazol-6-yl]piperidine-4-carbaldehyde
CID 177144627

Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione (CID 138460739) is 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2cc(CN)ccc21.
What is the InChIKey of 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione?
The InChIKey is BBKGYMVBZTVEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18-11-4-2-8(7-15)6-10(11)13(17-18)9-3-5-12(19)16-14(9)20/h2,4,6,9H,3,5,7,15H2,1H3,(H,16,19,20).
What are the key properties of 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione?
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 272.31 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 138460739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).