1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C24H29N5O4 — CID 166329109

IUPAC1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCCC(C2CCN(C(=O)c3cccc4[nH]ncc34)CC2)C1
InChIInChI=1S/C24H29N5O4/c30-21-6-7-22(31)29(21)15-23(32)28-10-2-3-17(14-28)16-8-11-27(12-9-16)24(33)18-4-1-5-20-19(18)13-25-26-20/h1,4-5,13,16-17H,2-3,6-12,14-15H2,(H,25,26)
InChIKeyCWDVLBNDXUIXMI-UHFFFAOYSA-N
MW451.53 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 166329109) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID166329109
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESO=C(CN1C(=O)CCC1=O)N1CCCC(C2CCN(C(=O)c3cccc4[nH]ncc34)CC2)C1
InChIInChI=1S/C24H29N5O4/c30-21-6-7-22(31)29(21)15-23(32)28-10-2-3-17(14-28)16-8-11-27(12-9-16)24(33)18-4-1-5-20-19(18)13-25-26-20/h1,4-5,13,16-17H,2-3,6-12,14-15H2,(H,25,26)
InChIKeyCWDVLBNDXUIXMI-UHFFFAOYSA-N
XLogP1.80
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
N-(4-chlorophenyl)-1-(1H-indazole-4-carbonyl)piperidine-3-carboxamide
CID 121317957
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
CID 71938369
2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 9017520
N-[2-[(3aR,6aR)-5-(1H-indazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 146147640
3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide
CID 167817117
1H-indazol-4-yl-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95736162
5-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 9225564
1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-indazol-4-yl)methanone
CID 11514570
[4-(4-chlorophenyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 166189721

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 166329109) is 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is O=C(CN1C(=O)CCC1=O)N1CCCC(C2CCN(C(=O)c3cccc4[nH]ncc34)CC2)C1.
What is the InChIKey of 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is CWDVLBNDXUIXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c30-21-6-7-22(31)29(21)15-23(32)28-10-2-3-17(14-28)16-8-11-27(12-9-16)24(33)18-4-1-5-20-19(18)13-25-26-20/h1,4-5,13,16-17H,2-3,6-12,14-15H2,(H,25,26).
What are the key properties of 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 451.53 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[1-(1H-indazole-4-carbonyl)piperidin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 166329109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).