N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide

C24H31N5O6 — CID 171554881

IUPACN-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
SMILESNC1CCN(CCCCNC(=O)COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C24H31N5O6/c25-15-7-11-28(12-8-15)10-2-1-9-26-21(31)14-35-16-3-4-17-18(13-16)24(34)29(23(17)33)19-5-6-20(30)27-22(19)32/h3-4,13,15,19H,1-2,5-12,14,25H2,(H,26,31)(H,27,30,32)
InChIKeyCIRJBMZJDBWYFQ-UHFFFAOYSA-N
MW485.54 g/mol
LogP-0.21
Rot. Bonds9

About N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide

N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide (PubChem CID 171554881) has the molecular formula C24H31N5O6 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
PubChem CID171554881
Molecular FormulaC24H31N5O6
Molecular Weight485.54 g/mol
Exact Mass485.23
IUPAC NameN-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
SMILESNC1CCN(CCCCNC(=O)COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
InChIInChI=1S/C24H31N5O6/c25-15-7-11-28(12-8-15)10-2-1-9-26-21(31)14-35-16-3-4-17-18(13-16)24(34)29(23(17)33)19-5-6-20(30)27-22(19)32/h3-4,13,15,19H,1-2,5-12,14,25H2,(H,26,31)(H,27,30,32)
InChIKeyCIRJBMZJDBWYFQ-UHFFFAOYSA-N
XLogP-0.21
TPSA151.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(10-aminodecyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
CID 171554713
N-[2-(2-aminoethoxy)ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide;hydrochloride
CID 163297615
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-prop-2-ynylacetamide
CID 171158142
[1-[5-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]pentyl]piperidin-4-yl] carbamate
CID 175196222
tert-butyl 4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]piperazine-1-carboxylate
CID 156820716
5-[2-[4-(3-aminopropyl)piperidin-1-yl]-2-oxoethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167508289
2-(2,6-dioxopiperidin-3-yl)-5-[5-(methylamino)pentoxy]isoindole-1,3-dione;hydrochloride
CID 166064297
2-(2,6-dioxopiperidin-3-yl)-5-[3-(methylamino)propoxy]isoindole-1,3-dione;hydrochloride
CID 166064309
5-[2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 155673299
N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide
CID 166428822
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[6-(4-phenylpiperazin-1-yl)hexyl]acetamide
CID 163732964
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxy-N-[(1S,2S)-2-methoxycyclohexyl]acetamide
CID 166431279

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide?
The IUPAC name of N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide (CID 171554881) is N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide.
What is the SMILES notation for N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide?
The canonical SMILES for N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide is NC1CCN(CCCCNC(=O)COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.
What is the InChIKey of N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide?
The InChIKey is CIRJBMZJDBWYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O6/c25-15-7-11-28(12-8-15)10-2-1-9-26-21(31)14-35-16-3-4-17-18(13-16)24(34)29(23(17)33)19-5-6-20(30)27-22(19)32/h3-4,13,15,19H,1-2,5-12,14,25H2,(H,26,31)(H,27,30,32).
What are the key properties of N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide?
N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide has a molecular weight of 485.54 g/mol, XLogP of -0.21, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidin-1-yl)butyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetamide is sourced from PubChem (CID 171554881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).