N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide

C26H27N5O5 — CID 138611916

IUPACN-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide
SMILESO=CNc1ccc(C(=O)N2CCC(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1
InChIInChI=1S/C26H27N5O5/c32-15-27-17-6-4-16(5-7-17)25(35)30-12-10-18(11-13-30)28-21-3-1-2-19-20(21)14-31(26(19)36)22-8-9-23(33)29-24(22)34/h1-7,15,18,22,28H,8-14H2,(H,27,32)(H,29,33,34)
InChIKeyAQJLHXRTHDOHBQ-UHFFFAOYSA-N
MW489.53 g/mol
LogP1.73
Rot. Bonds6

About N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide

N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide (PubChem CID 138611916) has the molecular formula C26H27N5O5 and a molecular weight of 489.53 g/mol. Its IUPAC name is N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide.

Molecular Properties

Compound NameN-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide
PubChem CID138611916
Molecular FormulaC26H27N5O5
Molecular Weight489.53 g/mol
Exact Mass489.20
IUPAC NameN-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide
SMILESO=CNc1ccc(C(=O)N2CCC(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1
InChIInChI=1S/C26H27N5O5/c32-15-27-17-6-4-16(5-7-17)25(35)30-12-10-18(11-13-30)28-21-3-1-2-19-20(21)14-31(26(19)36)22-8-9-23(33)29-24(22)34/h1-7,15,18,22,28H,8-14H2,(H,27,32)(H,29,33,34)
InChIKeyAQJLHXRTHDOHBQ-UHFFFAOYSA-N
XLogP1.73
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide
CID 138611897
[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]carbamic acid
CID 174190318
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-11-oxoundecanamide
CID 126719053
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-hydroxyhexanamide
CID 155292313
3-[7-[[1-[2-[2-(2-aminoethoxy)ethoxy]ethyl]piperidin-4-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 138694260
3-[7-[[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167470395
tert-butyl N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]cyclohexyl]-N-methylcarbamate
CID 175995361
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-hydroxyacetamide
CID 155292309
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]formamide;pent-1-yne
CID 156793826
(E)-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-2-enamide
CID 167989554
4-amino-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanamide;hydrochloride
CID 155292281
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide?
The IUPAC name of N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide (CID 138611916) is N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide.
What is the SMILES notation for N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide?
The canonical SMILES for N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide is O=CNc1ccc(C(=O)N2CCC(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1.
What is the InChIKey of N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide?
The InChIKey is AQJLHXRTHDOHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O5/c32-15-27-17-6-4-16(5-7-17)25(35)30-12-10-18(11-13-30)28-21-3-1-2-19-20(21)14-31(26(19)36)22-8-9-23(33)29-24(22)34/h1-7,15,18,22,28H,8-14H2,(H,27,32)(H,29,33,34).
What are the key properties of N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide?
N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide has a molecular weight of 489.53 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide is sourced from PubChem (CID 138611916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).