5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C23H30N4O4 — CID 167733512

IUPAC5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)[C@@H]1CCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)[C@H](CN)C1
InChIInChI=1S/C23H30N4O4/c1-13(2)15-7-8-26(16(10-15)11-24)12-14-3-4-17-18(9-14)23(31)27(22(17)30)19-5-6-20(28)25-21(19)29/h3-4,9,13,15-16,19H,5-8,10-12,24H2,1-2H3,(H,25,28,29)/t15-,16+,19?/m1/s1
InChIKeyKCLNWYWRWKDNRK-IEAUQHRDSA-N
MW426.52 g/mol
LogP1.28
Rot. Bonds5

About 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167733512) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167733512
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCC(C)[C@@H]1CCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)[C@H](CN)C1
InChIInChI=1S/C23H30N4O4/c1-13(2)15-7-8-26(16(10-15)11-24)12-14-3-4-17-18(9-14)23(31)27(22(17)30)19-5-6-20(28)25-21(19)29/h3-4,9,13,15-16,19H,5-8,10-12,24H2,1-2H3,(H,25,28,29)/t15-,16+,19?/m1/s1
InChIKeyKCLNWYWRWKDNRK-IEAUQHRDSA-N
XLogP1.28
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 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

5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167731367
5-[[2-(aminomethyl)-5-methylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728351
5-[[[(2S)-1-aminopropan-2-yl]-methylamino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167739552
5-butyl-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 157474778
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
2-(2,6-dioxopiperidin-3-yl)-5-[(7-methyl-1,4-diazepan-1-yl)methyl]isoindole-1,3-dione
CID 167716655
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
5-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716406
5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741570
5-(3,6-diazabicyclo[3.2.1]octan-6-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734807
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
5-[[(1R,5S,6R)-6-(aminomethyl)-3-azabicyclo[3.2.0]heptan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167718446

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167733512) is 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(C)[C@@H]1CCN(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)[C@H](CN)C1.
What is the InChIKey of 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is KCLNWYWRWKDNRK-IEAUQHRDSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-13(2)15-7-8-26(16(10-15)11-24)12-14-3-4-17-18(9-14)23(31)27(22(17)30)19-5-6-20(28)25-21(19)29/h3-4,9,13,15-16,19H,5-8,10-12,24H2,1-2H3,(H,25,28,29)/t15-,16+,19?/m1/s1.
What are the key properties of 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 426.52 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167733512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).