3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione

C17H19ClN4O2 — CID 178017573

IUPAC3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc(Cl)c3cc(C4CCNCC4)ccc32)C(=O)N1
InChIInChI=1S/C17H19ClN4O2/c18-16-12-9-11(10-5-7-19-8-6-10)1-2-13(12)22(21-16)14-3-4-15(23)20-17(14)24/h1-2,9-10,14,19H,3-8H2,(H,20,23,24)
InChIKeyXKOYDZJFDLPELH-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.13
Rot. Bonds2

About 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione

3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione (PubChem CID 178017573) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione
PubChem CID178017573
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2nc(Cl)c3cc(C4CCNCC4)ccc32)C(=O)N1
InChIInChI=1S/C17H19ClN4O2/c18-16-12-9-11(10-5-7-19-8-6-10)1-2-13(12)22(21-16)14-3-4-15(23)20-17(14)24/h1-2,9-10,14,19H,3-8H2,(H,20,23,24)
InChIKeyXKOYDZJFDLPELH-UHFFFAOYSA-N
XLogP2.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.13
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-(5-piperidin-4-yl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 167293608
2-(2,6-dioxopiperidin-3-yl)-5-piperidin-4-ylisoindole-1,3-dione;ethane
CID 142367515
3-[3-(oxan-4-yl)-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl]piperidine-2,6-dione
CID 167470969
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-(7-oxo-3-piperidin-4-yl-5H-pyrrolo[3,4-b]pyridin-6-yl)piperidine-2,6-dione;hydrochloride
CID 155923300
3-(2-fluoro-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 156505691
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
1-(2-chloro-4-piperidin-4-ylphenyl)-1,3-diazinane-2,4-dione
CID 171406571
3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172592649
(3S)-3-(4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 166899562
2-(2,6-dioxopiperidin-3-yl)-5-fluoro-6-piperidin-4-ylisoindole-1,3-dione
CID 170313071
3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 167470469

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione (CID 178017573) is 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione is O=C1CCC(n2nc(Cl)c3cc(C4CCNCC4)ccc32)C(=O)N1.
What is the InChIKey of 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione?
The InChIKey is XKOYDZJFDLPELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-16-12-9-11(10-5-7-19-8-6-10)1-2-13(12)22(21-16)14-3-4-15(23)20-17(14)24/h1-2,9-10,14,19H,3-8H2,(H,20,23,24).
What are the key properties of 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione?
3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione has a molecular weight of 346.82 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-piperidin-4-ylindazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 178017573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).