N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide

C18H24N4O3 — CID 142407969

IUPACN-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
SMILESCNC(=O)CCC(C=O)N1Cc2cc(N3CCNCC3)ccc2C1=O
InChIInChI=1S/C18H24N4O3/c1-19-17(24)5-3-15(12-23)22-11-13-10-14(2-4-16(13)18(22)25)21-8-6-20-7-9-21/h2,4,10,12,15,20H,3,5-9,11H2,1H3,(H,19,24)
InChIKeyJLDVVQXDFZKYPK-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.15
Rot. Bonds6

About N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide

N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide (PubChem CID 142407969) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound NameN-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
PubChem CID142407969
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
SMILESCNC(=O)CCC(C=O)N1Cc2cc(N3CCNCC3)ccc2C1=O
InChIInChI=1S/C18H24N4O3/c1-19-17(24)5-3-15(12-23)22-11-13-10-14(2-4-16(13)18(22)25)21-8-6-20-7-9-21/h2,4,10,12,15,20H,3,5-9,11H2,1H3,(H,19,24)
InChIKeyJLDVVQXDFZKYPK-UHFFFAOYSA-N
XLogP0.15
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.15
H-Bond Donors ≤ 52
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,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 134580150
4-[6-[8-(diethylamino)octylsulfanyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166921446
4-[5-(2,6-diazaspiro[3.3]heptan-2-yl)-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide;ethane
CID 170978871
N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 168970319
4-(3,4-dimethyl-5-oxo-2H-pyrrol-1-yl)-N-methyl-5-oxopentanamide
CID 176669594
N-methylformamide;2-[3-oxo-6-[4-[[4-(2-piperidin-4-yloxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]-1H-isoindol-2-yl]pentanal
CID 171511252
5-(1,4-diazepan-1-yl)-2-methyl-3H-isoindol-1-one
CID 69363809
5-(methylamino)-2-[3-oxo-6-(4-propoxybut-1-ynyl)-1H-isoindol-2-yl]hex-5-enal
CID 156883313
tert-butyl 2-(hydroxymethyl)-4-[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]piperazine-1-carboxylate
CID 156711632
4-(1,3-dioxo-5-sulfanylisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 166921461
2-(6-amino-3-oxo-1H-isoindol-2-yl)pentanal;N-methylformamide
CID 156882709

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
The IUPAC name of N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide (CID 142407969) is N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide is CNC(=O)CCC(C=O)N1Cc2cc(N3CCNCC3)ccc2C1=O.
What is the InChIKey of N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
The InChIKey is JLDVVQXDFZKYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-19-17(24)5-3-15(12-23)22-11-13-10-14(2-4-16(13)18(22)25)21-8-6-20-7-9-21/h2,4,10,12,15,20H,3,5-9,11H2,1H3,(H,19,24).
What are the key properties of N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide has a molecular weight of 344.42 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 142407969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).