4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C28H32N4O4 — CID 167720147

IUPAC4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCC(Cc1ccccc1)C1CCCCN1Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C28H32N4O4/c29-16-20(15-18-7-2-1-3-8-18)22-11-4-5-14-31(22)17-19-9-6-10-21-25(19)28(36)32(27(21)35)23-12-13-24(33)30-26(23)34/h1-3,6-10,20,22-23H,4-5,11-17,29H2,(H,30,33,34)
InChIKeyAUNDVEZBQHGULP-UHFFFAOYSA-N
MW488.59 g/mol
LogP2.26
Rot. Bonds7

About 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167720147) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167720147
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNCC(Cc1ccccc1)C1CCCCN1Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C28H32N4O4/c29-16-20(15-18-7-2-1-3-8-18)22-11-4-5-14-31(22)17-19-9-6-10-21-25(19)28(36)32(27(21)35)23-12-13-24(33)30-26(23)34/h1-3,6-10,20,22-23H,4-5,11-17,29H2,(H,30,33,34)
InChIKeyAUNDVEZBQHGULP-UHFFFAOYSA-N
XLogP2.26
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 52.26
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

4-[[5-(aminomethyl)-6-azaspiro[3.4]octan-6-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167724156
2-(2,6-dioxopiperidin-3-yl)-4-[(2-piperidin-3-ylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 167731617
4-[[2-(aminomethyl)-3,3-dimethylpyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167720175
4-[[[(1R)-2-amino-1-cyclohexylethyl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741064
4-[(4-benzhydrylpiperazin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171829105
4-[(4-aminopiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167727971
4-[[4-(aminomethyl)-2-azabicyclo[2.2.2]octan-2-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167726779
4-(2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[e][1,4]diazepin-1-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167723514
2-(2,6-dioxopiperidin-3-yl)-4-[[[1-(methylamino)-3-phenylpropan-2-yl]amino]methyl]isoindole-1,3-dione
CID 167723133
4-[[[(2S)-1-amino-3-hydroxypropan-2-yl]amino]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167742462
4-[(4-amino-3,5-dimethylpiperidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728924
4-(chloromethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168870811

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167720147) is 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NCC(Cc1ccccc1)C1CCCCN1Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is AUNDVEZBQHGULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c29-16-20(15-18-7-2-1-3-8-18)22-11-4-5-14-31(22)17-19-9-6-10-21-25(19)28(36)32(27(21)35)23-12-13-24(33)30-26(23)34/h1-3,6-10,20,22-23H,4-5,11-17,29H2,(H,30,33,34).
What are the key properties of 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 488.59 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-amino-3-phenylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167720147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).