2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane

C27H40N4O4 — CID 178161675

IUPAC2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane
SMILESCC.CNC(=O)C(CCC=O)N1Cc2cc(N3CCC(OC4CC5(CNC5)C4)CC3)ccc2C1=O
InChIInChI=1S/C25H34N4O4.C2H6/c1-26-23(31)22(3-2-10-30)29-14-17-11-18(4-5-21(17)24(29)32)28-8-6-19(7-9-28)33-20-12-25(13-20)15-27-16-25;1-2/h4-5,10-11,19-20,22,27H,2-3,6-9,12-16H2,1H3,(H,26,31);1-2H3
InChIKeyLZOKFKKHOCDMST-UHFFFAOYSA-N
MW484.64 g/mol
LogP2.50
Rot. Bonds8

About 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane

2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane (PubChem CID 178161675) has the molecular formula C27H40N4O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane.

Molecular Properties

Compound Name2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane
PubChem CID178161675
Molecular FormulaC27H40N4O4
Molecular Weight484.64 g/mol
Exact Mass484.30
IUPAC Name2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane
SMILESCC.CNC(=O)C(CCC=O)N1Cc2cc(N3CCC(OC4CC5(CNC5)C4)CC3)ccc2C1=O
InChIInChI=1S/C25H34N4O4.C2H6/c1-26-23(31)22(3-2-10-30)29-14-17-11-18(4-5-21(17)24(29)32)28-8-6-19(7-9-28)33-20-12-25(13-20)15-27-16-25;1-2/h4-5,10-11,19-20,22,27H,2-3,6-9,12-16H2,1H3,(H,26,31);1-2H3
InChIKeyLZOKFKKHOCDMST-UHFFFAOYSA-N
XLogP2.50
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane with MolForge

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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-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 168970319
2-[6-[4-(4-formylpiperazin-1-yl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methylhex-5-enamide
CID 167480600
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
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
ethane;2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727234
N-methyl-2-[6-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 170102263
2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727235
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
2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 170731571
N-methyl-2-[6-[2-(2-methylpropylamino)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 170098970

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane?
The IUPAC name of 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) is 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane.
What is the SMILES notation for 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane?
The canonical SMILES for 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane is CC.CNC(=O)C(CCC=O)N1Cc2cc(N3CCC(OC4CC5(CNC5)C4)CC3)ccc2C1=O.
What is the InChIKey of 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane?
The InChIKey is LZOKFKKHOCDMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4.C2H6/c1-26-23(31)22(3-2-10-30)29-14-17-11-18(4-5-21(17)24(29)32)28-8-6-19(7-9-28)33-20-12-25(13-20)15-27-16-25;1-2/h4-5,10-11,19-20,22,27H,2-3,6-9,12-16H2,1H3,(H,26,31);1-2H3.
What are the key properties of 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane?
2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane has a molecular weight of 484.64 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-azaspiro[3.3]heptan-6-yloxy)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide;ethane is sourced from PubChem (CID 178161675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).