N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide

C19H26N4O3 — CID 134580150

IUPACN,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
SMILESCN(C)C(=O)C(CCC=O)N1Cc2cc(N3CCNCC3)ccc2C1=O
InChIInChI=1S/C19H26N4O3/c1-21(2)19(26)17(4-3-11-24)23-13-14-12-15(5-6-16(14)18(23)25)22-9-7-20-8-10-22/h5-6,11-12,17,20H,3-4,7-10,13H2,1-2H3
InChIKeyGBRFWHIVRCVJEW-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.49
Rot. Bonds6

About N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide

N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide (PubChem CID 134580150) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
PubChem CID134580150
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
SMILESCN(C)C(=O)C(CCC=O)N1Cc2cc(N3CCNCC3)ccc2C1=O
InChIInChI=1S/C19H26N4O3/c1-21(2)19(26)17(4-3-11-24)23-13-14-12-15(5-6-16(14)18(23)25)22-9-7-20-8-10-22/h5-6,11-12,17,20H,3-4,7-10,13H2,1-2H3
InChIKeyGBRFWHIVRCVJEW-UHFFFAOYSA-N
XLogP0.49
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Lenalidomide
CID 216326
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
Lenalidomide, (S)-
CID 12044976
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11290531
2-(dimethylamino)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11439016
3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9819770
(R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9928335
Nalpha-{(2e)-3-[4-(Dimethylamino)phenyl]prop-2-Enoyl}-N-{(2s)-1-Oxo-3-[(3s)-2-Oxopyrrolidin-3-Yl]propan-2-Yl}-L-Phenylalaninamide
CID 44578236
2-(4-methylpiperazin-1-yl)-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-13-yl}acetamide
CID 11269254
N-(4-Dimethylamino-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-acetamide
CID 679884

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
The IUPAC name of N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide (CID 134580150) is N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide is CN(C)C(=O)C(CCC=O)N1Cc2cc(N3CCNCC3)ccc2C1=O.
What is the InChIKey of N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
The InChIKey is GBRFWHIVRCVJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-21(2)19(26)17(4-3-11-24)23-13-14-12-15(5-6-16(14)18(23)25)22-9-7-20-8-10-22/h5-6,11-12,17,20H,3-4,7-10,13H2,1-2H3.
What are the key properties of N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide has a molecular weight of 358.44 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 134580150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).