N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide

C36H45N7O6 — CID 167048270

IUPACN-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide
SMILESCC(C)(O)c1cc(N)c(/C=N/C2CCN(CCC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1NC=O
InChIInChI=1S/C36H45N7O6/c1-36(2,49)28-19-29(37)23(17-30(28)39-21-44)20-38-24-10-13-41(14-11-24)12-7-22-8-15-42(16-9-22)25-3-4-26-27(18-25)35(48)43(34(26)47)31-5-6-32(45)40-33(31)46/h3-4,17-22,24,31,49H,5-16,37H2,1-2H3,(H,39,44)(H,40,45,46)/b38-20+
InChIKeyNEZWWGCGBUDVAP-CHSHITCJSA-N
MW671.80 g/mol
LogP2.66
Rot. Bonds10

About N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide

N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide (PubChem CID 167048270) has the molecular formula C36H45N7O6 and a molecular weight of 671.80 g/mol. Its IUPAC name is N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide
PubChem CID167048270
Molecular FormulaC36H45N7O6
Molecular Weight671.80 g/mol
Exact Mass671.34
IUPAC NameN-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide
SMILESCC(C)(O)c1cc(N)c(/C=N/C2CCN(CCC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1NC=O
InChIInChI=1S/C36H45N7O6/c1-36(2,49)28-19-29(37)23(17-30(28)39-21-44)20-38-24-10-13-41(14-11-24)12-7-22-8-15-42(16-9-22)25-3-4-26-27(18-25)35(48)43(34(26)47)31-5-6-32(45)40-33(31)46/h3-4,17-22,24,31,49H,5-16,37H2,1-2H3,(H,39,44)(H,40,45,46)/b38-20+
InChIKeyNEZWWGCGBUDVAP-CHSHITCJSA-N
XLogP2.66
TPSA177.74 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500671.80
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide with MolForge

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Related Compounds

N-[4-amino-5-[[1-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 170190838
(E)-3-amino-N-[4-amino-5-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]-2-(5-chloropyrimidin-2-yl)prop-2-enamide;methane
CID 166536717
tert-butyl 4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 154670046
tert-butyl N-[3-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethyl]pyrrolidin-1-yl]carbamate
CID 167462872
2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-N-methylacetamide
CID 175659721
2-(2,6-dioxopiperidin-3-yl)-5-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]isoindole-1,3-dione
CID 146485030
2-(2,6-dioxopiperidin-3-yl)-5-[4-(2-hydroxyethyl)piperazin-1-yl]isoindole-1,3-dione
CID 134414030
5-[4-[[4-(2,2-dimethoxyethyl)piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156866654
2-(2,6-dioxopiperidin-3-yl)-5-[4-[2-[1-[1-[(3Z)-penta-1,3-dien-2-yl]piperidin-4-yl]piperidin-4-yl]ethyl]piperazin-1-yl]isoindole-1,3-dione
CID 155583317
5-[4-(2-aminoethyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetaldehyde
CID 175987001
5-[4-[[4-(2,2-dimethoxyethyl)piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;molecular hydrogen
CID 156867003
tert-butyl 2-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]acetate
CID 170836056

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide?
The IUPAC name of N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide (CID 167048270) is N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide.
What is the SMILES notation for N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide?
The canonical SMILES for N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide is CC(C)(O)c1cc(N)c(/C=N/C2CCN(CCC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1NC=O.
What is the InChIKey of N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide?
The InChIKey is NEZWWGCGBUDVAP-CHSHITCJSA-N. The full InChI is InChI=1S/C36H45N7O6/c1-36(2,49)28-19-29(37)23(17-30(28)39-21-44)20-38-24-10-13-41(14-11-24)12-7-22-8-15-42(16-9-22)25-3-4-26-27(18-25)35(48)43(34(26)47)31-5-6-32(45)40-33(31)46/h3-4,17-22,24,31,49H,5-16,37H2,1-2H3,(H,39,44)(H,40,45,46)/b38-20+.
What are the key properties of N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide?
N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide has a molecular weight of 671.80 g/mol, XLogP of 2.66, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-5-[[1-[2-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]ethyl]piperidin-4-yl]iminomethyl]-2-(2-hydroxypropan-2-yl)phenyl]formamide is sourced from PubChem (CID 167048270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).