(2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide

C25H26N4O4 — CID 167294309

IUPAC(2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide
SMILESO=C1CCC(N2Cc3cc([C@@H]4CCN[C@H](C(=O)Nc5ccccc5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H26N4O4/c30-22-9-8-21(24(32)28-22)29-14-17-12-15(6-7-19(17)25(29)33)16-10-11-26-20(13-16)23(31)27-18-4-2-1-3-5-18/h1-7,12,16,20-21,26H,8-11,13-14H2,(H,27,31)(H,28,30,32)/t16-,20+,21?/m1/s1
InChIKeyQQKPMPWEDLOGKX-DPVFXHEMSA-N
MW446.51 g/mol
LogP1.92
Rot. Bonds4

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

(2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide (PubChem CID 167294309) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is (2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide
PubChem CID167294309
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name(2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide
SMILESO=C1CCC(N2Cc3cc([C@@H]4CCN[C@H](C(=O)Nc5ccccc5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H26N4O4/c30-22-9-8-21(24(32)28-22)29-14-17-12-15(6-7-19(17)25(29)33)16-10-11-26-20(13-16)23(31)27-18-4-2-1-3-5-18/h1-7,12,16,20-21,26H,8-11,13-14H2,(H,27,31)(H,28,30,32)/t16-,20+,21?/m1/s1
InChIKeyQQKPMPWEDLOGKX-DPVFXHEMSA-N
XLogP1.92
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[6-(2-benzylpiperidin-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167293460
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
CID 177187974
3-[3-oxo-6-[1-(piperidine-4-carbonyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172590709
3-[6-[1-(2-anilinoethyl)piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146587210
(3R)-3-[6-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166778594
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide
CID 166426637
N-[3-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]benzamide
CID 167293493
3-[6-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155660789
3-[6-(7-azaspiro[3.5]nonan-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178161571
3-[3-oxo-6-[(2S)-piperidin-2-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171545886
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-phenylprop-2-enamide
CID 171088427
3-[6-[(6S)-7-benzyl-7-azabicyclo[4.2.1]nonan-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138577807

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide (CID 167294309) is (2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide is O=C1CCC(N2Cc3cc([C@@H]4CCN[C@H](C(=O)Nc5ccccc5)C4)ccc3C2=O)C(=O)N1.
What is the InChIKey of (2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide?
The InChIKey is QQKPMPWEDLOGKX-DPVFXHEMSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-22-9-8-21(24(32)28-22)29-14-17-12-15(6-7-19(17)25(29)33)16-10-11-26-20(13-16)23(31)27-18-4-2-1-3-5-18/h1-7,12,16,20-21,26H,8-11,13-14H2,(H,27,31)(H,28,30,32)/t16-,20+,21?/m1/s1.
What are the key properties of (2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide?
(2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpiperidine-2-carboxamide is sourced from PubChem (CID 167294309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).