3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H33N5O4 — CID 167722682

IUPAC3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CCN(C(=O)C2CCN(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)CC1
InChIInChI=1S/C25H33N5O4/c26-19-7-11-29(12-8-19)24(33)17-5-9-28(10-6-17)14-16-1-2-18-15-30(25(34)20(18)13-16)21-3-4-22(31)27-23(21)32/h1-2,13,17,19,21H,3-12,14-15,26H2,(H,27,31,32)
InChIKeyRFERKICSOKXKOV-UHFFFAOYSA-N
MW467.57 g/mol
LogP0.61
Rot. Bonds4

About 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167722682) has the molecular formula C25H33N5O4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID167722682
Molecular FormulaC25H33N5O4
Molecular Weight467.57 g/mol
Exact Mass467.25
IUPAC Name3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNC1CCN(C(=O)C2CCN(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)CC1
InChIInChI=1S/C25H33N5O4/c26-19-7-11-29(12-8-19)24(33)17-5-9-28(10-6-17)14-16-1-2-18-15-30(25(34)20(18)13-16)21-3-4-22(31)27-23(21)32/h1-2,13,17,19,21H,3-12,14-15,26H2,(H,27,31,32)
InChIKeyRFERKICSOKXKOV-UHFFFAOYSA-N
XLogP0.61
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 50.61
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

3-[5-[(3-aminoazetidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734218
3-[5-[[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737382
5-[[3-(4-aminopiperidine-1-carbonyl)azetidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741215
3-[5-[[4-(3-amino-3-methylbutyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167714658
3-[5-[[4-(5-aminopentyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730458
3-[6-[[(3R)-3-aminopyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167741414
3-[5-[[4-(3-aminooxetan-3-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731304
3-[5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167732277
3-[5-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167733099
3-[5-[[3-(2-aminopropan-2-yl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737171
3-[5-[[4-(4-aminophenyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723188
3-[5-[(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723843

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167722682) is 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NC1CCN(C(=O)C2CCN(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4)CC2)CC1.
What is the InChIKey of 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is RFERKICSOKXKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4/c26-19-7-11-29(12-8-19)24(33)17-5-9-28(10-6-17)14-16-1-2-18-15-30(25(34)20(18)13-16)21-3-4-22(31)27-23(21)32/h1-2,13,17,19,21H,3-12,14-15,26H2,(H,27,31,32).
What are the key properties of 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 467.57 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167722682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).