4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C21H25N5O5 — CID 167815833

IUPAC4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC[C@H]1CCCCN1C(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H25N5O5/c22-10-12-4-1-2-9-25(12)17(28)11-23-14-6-3-5-13-18(14)21(31)26(20(13)30)15-7-8-16(27)24-19(15)29/h3,5-6,12,15,23H,1-2,4,7-11,22H2,(H,24,27,29)/t12-,15?/m1/s1
InChIKeyLPTRMMHEBLNCAY-KEKZHRQWSA-N
MW427.46 g/mol
LogP-0.16
Rot. Bonds5

About 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167815833) has the molecular formula C21H25N5O5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167815833
Molecular FormulaC21H25N5O5
Molecular Weight427.46 g/mol
Exact Mass427.19
IUPAC Name4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESNC[C@H]1CCCCN1C(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H25N5O5/c22-10-12-4-1-2-9-25(12)17(28)11-23-14-6-3-5-13-18(14)21(31)26(20(13)30)15-7-8-16(27)24-19(15)29/h3,5-6,12,15,23H,1-2,4,7-11,22H2,(H,24,27,29)/t12-,15?/m1/s1
InChIKeyLPTRMMHEBLNCAY-KEKZHRQWSA-N
XLogP-0.16
TPSA141.91 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166426144
(2R)-2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]propanoic acid
CID 166426172
4-[[2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 166426119
4-(cyclooctylmethylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 170242906
4-[[(2R)-3-amino-2-methylpropyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171809906
4-[(3-amino-2-hydroxypropyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171158431
4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 175333442
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;hydrochloride
CID 162642736
N-[3-[(3S)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide
CID 170396123
4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 139211247
4-(cyclopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 153358702

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167815833) is 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is NC[C@H]1CCCCN1C(=O)CNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is LPTRMMHEBLNCAY-KEKZHRQWSA-N. The full InChI is InChI=1S/C21H25N5O5/c22-10-12-4-1-2-9-25(12)17(28)11-23-14-6-3-5-13-18(14)21(31)26(20(13)30)15-7-8-16(27)24-19(15)29/h3,5-6,12,15,23H,1-2,4,7-11,22H2,(H,24,27,29)/t12-,15?/m1/s1.
What are the key properties of 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 427.46 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2R)-2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167815833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).