4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide

C24H33N5O4 — CID 176977757

IUPAC4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(CCCCCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C24H33N5O4/c1-25-24(33)28-13-11-27(12-14-28)10-4-2-3-5-17-6-7-19-18(15-17)16-29(23(19)32)20-8-9-21(30)26-22(20)31/h6-7,15,20H,2-5,8-14,16H2,1H3,(H,25,33)(H,26,30,31)
InChIKeyJEOWNQYMXVAHIE-UHFFFAOYSA-N
MW455.56 g/mol
LogP1.12
Rot. Bonds7

About 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide

4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide (PubChem CID 176977757) has the molecular formula C24H33N5O4 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide
PubChem CID176977757
Molecular FormulaC24H33N5O4
Molecular Weight455.56 g/mol
Exact Mass455.25
IUPAC Name4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide
SMILESCNC(=O)N1CCN(CCCCCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C24H33N5O4/c1-25-24(33)28-13-11-27(12-14-28)10-4-2-3-5-17-6-7-19-18(15-17)16-29(23(19)32)20-8-9-21(30)26-22(20)31/h6-7,15,20H,2-5,8-14,16H2,1H3,(H,25,33)(H,26,30,31)
InChIKeyJEOWNQYMXVAHIE-UHFFFAOYSA-N
XLogP1.12
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]heptanoic acid
CID 155177635
tert-butyl N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]carbamate
CID 176938730
3-[6-[[4-(3-aminopropyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740272
3-[6-[[4-(methylamino)piperidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167734657
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]morpholine-4-carboxamide
CID 44538415
3-[3-oxo-6-(4-pentylpiperazin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178099790
3-[6-[[4-(3-aminopropanoyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167737566
3-[3-oxo-6-(2-oxo-2-piperidin-1-ylethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 176616040
3-[3-oxo-6-[8-(3-tricyclo[3.3.1.03,7]nonanylamino)octyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167279962
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylurea
CID 131740402
3-[6-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methanesulfonic acid
CID 86630765
N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]formamide
CID 130219683

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide?
The IUPAC name of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide (CID 176977757) is 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide is CNC(=O)N1CCN(CCCCCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide?
The InChIKey is JEOWNQYMXVAHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4/c1-25-24(33)28-13-11-27(12-14-28)10-4-2-3-5-17-6-7-19-18(15-17)16-29(23(19)32)20-8-9-21(30)26-22(20)31/h6-7,15,20H,2-5,8-14,16H2,1H3,(H,25,33)(H,26,30,31).
What are the key properties of 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide?
4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pentyl]-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 176977757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).