N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide

C18H23N5O3 — CID 174243580

IUPACN-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide
SMILESCNC(=O)C(CCC=O)n1ncc2cc(N3CCNCC3)ccc2c1=O
InChIInChI=1S/C18H23N5O3/c1-19-17(25)16(3-2-10-24)23-18(26)15-5-4-14(11-13(15)12-21-23)22-8-6-20-7-9-22/h4-5,10-12,16,20H,2-3,6-9H2,1H3,(H,19,25)
InChIKeyUIBJXCMKAROOPA-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.07
Rot. Bonds6

About N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide

N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide (PubChem CID 174243580) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide.

Molecular Properties

Compound NameN-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide
PubChem CID174243580
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide
SMILESCNC(=O)C(CCC=O)n1ncc2cc(N3CCNCC3)ccc2c1=O
InChIInChI=1S/C18H23N5O3/c1-19-17(25)16(3-2-10-24)23-18(26)15-5-4-14(11-13(15)12-21-23)22-8-6-20-7-9-22/h4-5,10-12,16,20H,2-3,6-9H2,1H3,(H,19,25)
InChIKeyUIBJXCMKAROOPA-UHFFFAOYSA-N
XLogP0.07
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-2-[3-methyl-5-[4-[methyl(piperidin-4-ylmethyl)amino]piperidin-1-yl]-2-oxobenzimidazol-1-yl]-5-oxopentanamide
CID 167091563
2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727235
N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 134580150
ethane;2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727234
2-(1-oxo-6-piperazin-1-ylisoquinolin-2-yl)propanamide
CID 117099807
6-piperazin-1-yl-2-propan-2-ylisoquinolin-1-one
CID 117099788
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
hydroxylamine;2-[(5-oxopentan-2-ylamino)methyl]-4-piperazin-1-ylbenzaldehyde
CID 169161584
8-[4-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-5-yl]piperazin-1-yl]octyl hypofluorite
CID 134581873
4-(6-piperazin-1-yl-1,4-dihydro-2,3-benzoxazin-3-yl)pentanal
CID 177194614
N-methyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopentanamide
CID 171820990

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide?
The IUPAC name of N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide (CID 174243580) is N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide.
What is the SMILES notation for N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide?
The canonical SMILES for N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide is CNC(=O)C(CCC=O)n1ncc2cc(N3CCNCC3)ccc2c1=O.
What is the InChIKey of N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide?
The InChIKey is UIBJXCMKAROOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-19-17(25)16(3-2-10-24)23-18(26)15-5-4-14(11-13(15)12-21-23)22-8-6-20-7-9-22/h4-5,10-12,16,20H,2-3,6-9H2,1H3,(H,19,25).
What are the key properties of N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide?
N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide has a molecular weight of 357.41 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide is sourced from PubChem (CID 174243580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).