N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

C19H26N4O3 — CID 168970319

IUPACN-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(N3CCN(C)CC3)ccc2C1=O
InChIInChI=1S/C19H26N4O3/c1-20-18(25)17(4-3-11-24)23-13-14-12-15(5-6-16(14)19(23)26)22-9-7-21(2)8-10-22/h5-6,11-12,17H,3-4,7-10,13H2,1-2H3,(H,20,25)
InChIKeyUMRBCKFAJQJJFM-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.49
Rot. Bonds6

About N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide

N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (PubChem CID 168970319) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.

Molecular Properties

Compound NameN-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
PubChem CID168970319
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2cc(N3CCN(C)CC3)ccc2C1=O
InChIInChI=1S/C19H26N4O3/c1-20-18(25)17(4-3-11-24)23-13-14-12-15(5-6-16(14)19(23)26)22-9-7-21(2)8-10-22/h5-6,11-12,17H,3-4,7-10,13H2,1-2H3,(H,20,25)
InChIKeyUMRBCKFAJQJJFM-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

ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 169161654
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane
CID 178161675
2-[6-[4-(4-formylpiperazin-1-yl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methylhex-5-enamide
CID 167480600
2-[6-[4-[1-[3-(4-aminopiperidin-1-yl)sulfanylphenyl]azetidin-3-yl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 178004610
N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 134580150
2-[6-[[(2-chloroacetyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 167232625
2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 170731571
2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
CID 170119033
N-methyl-2-[7-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 166701395
tert-butyl N-[1-[3-[4-[[1-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenyl]sulfanylpiperidin-4-yl]carbamate
CID 164557408
ethane;2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727234

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The IUPAC name of N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide (CID 168970319) is N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide.
What is the SMILES notation for N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The canonical SMILES for N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is CNC(=O)C(CCC=O)N1Cc2cc(N3CCN(C)CC3)ccc2C1=O.
What is the InChIKey of N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
The InChIKey is UMRBCKFAJQJJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-20-18(25)17(4-3-11-24)23-13-14-12-15(5-6-16(14)19(23)26)22-9-7-21(2)8-10-22/h5-6,11-12,17H,3-4,7-10,13H2,1-2H3,(H,20,25).
What are the key properties of N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide?
N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide 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-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide is sourced from PubChem (CID 168970319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).