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

C20H30N4O3 — CID 169161654

IUPACethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
SMILESCC.CNC(=O)C(CCC=O)N1Cc2cc(N3CCNCC3)ccc2C1=O
InChIInChI=1S/C18H24N4O3.C2H6/c1-19-17(24)16(3-2-10-23)22-12-13-11-14(4-5-15(13)18(22)25)21-8-6-20-7-9-21;1-2/h4-5,10-11,16,20H,2-3,6-9,12H2,1H3,(H,19,24);1-2H3
InChIKeyVLSRJFYYUZBDME-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.17
Rot. Bonds6

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

ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide (PubChem CID 169161654) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide.

Molecular Properties

Compound Nameethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
PubChem CID169161654
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Nameethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
SMILESCC.CNC(=O)C(CCC=O)N1Cc2cc(N3CCNCC3)ccc2C1=O
InChIInChI=1S/C18H24N4O3.C2H6/c1-19-17(24)16(3-2-10-23)22-12-13-11-14(4-5-15(13)18(22)25)21-8-6-20-7-9-21;1-2/h4-5,10-11,16,20H,2-3,6-9,12H2,1H3,(H,19,24);1-2H3
InChIKeyVLSRJFYYUZBDME-UHFFFAOYSA-N
XLogP1.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.17
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

N,N-dimethyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 134580150
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
ethane;2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727234
2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727235
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
N-methyl-5-oxo-4-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 142407969
2-[6-[4-(4-formylpiperazin-1-yl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methylhex-5-enamide
CID 167480600
2-[6-[[(2-chloroacetyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 167232625
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
2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 170731571
N-methyl-5-oxo-2-(1-oxo-6-piperazin-1-ylphthalazin-2-yl)pentanamide
CID 174243580
2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
CID 170119033

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
The IUPAC name of ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide (CID 169161654) is ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide.
What is the SMILES notation for ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
The canonical SMILES for ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide is CC.CNC(=O)C(CCC=O)N1Cc2cc(N3CCNCC3)ccc2C1=O.
What is the InChIKey of ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
The InChIKey is VLSRJFYYUZBDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.C2H6/c1-19-17(24)16(3-2-10-23)22-12-13-11-14(4-5-15(13)18(22)25)21-8-6-20-7-9-21;1-2/h4-5,10-11,16,20H,2-3,6-9,12H2,1H3,(H,19,24);1-2H3.
What are the key properties of ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide?
ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide has a molecular weight of 374.49 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide is sourced from PubChem (CID 169161654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).