5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one

C22H35N3O4 — CID 175824867

IUPAC5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one
SMILESNCCOCCOCCOCCCc1ccc2c(c1)CN(C1CCCNC1)C2=O
InChIInChI=1S/C22H35N3O4/c23-7-10-28-12-14-29-13-11-27-9-2-3-18-5-6-21-19(15-18)17-25(22(21)26)20-4-1-8-24-16-20/h5-6,15,20,24H,1-4,7-14,16-17,23H2
InChIKeyJVQOPVWZUYFHPC-UHFFFAOYSA-N
MW405.54 g/mol
LogP1.34
Rot. Bonds13

About 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one

5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one (PubChem CID 175824867) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one
PubChem CID175824867
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Name5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one
SMILESNCCOCCOCCOCCCc1ccc2c(c1)CN(C1CCCNC1)C2=O
InChIInChI=1S/C22H35N3O4/c23-7-10-28-12-14-29-13-11-27-9-2-3-18-5-6-21-19(15-18)17-25(22(21)26)20-4-1-8-24-16-20/h5-6,15,20,24H,1-4,7-14,16-17,23H2
InChIKeyJVQOPVWZUYFHPC-UHFFFAOYSA-N
XLogP1.34
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(2-aminoethoxy)ethoxy]ethylsulfonyl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175716605
2-piperidin-3-yl-5-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 150210420
2-piperidin-3-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-isoindol-1-one
CID 170163278
5-(4-aminoquinazolin-2-yl)-2-piperidin-3-yl-3H-isoindol-1-one
CID 175840473
5-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-6-fluoro-2-piperidin-3-yl-3H-isoindol-1-one
CID 175880423
2-piperidin-3-yl-5-(1,2,3,4-tetrahydroquinolin-4-yl)-3H-isoindol-1-one
CID 170163332
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-fluoro-2-piperidin-3-yl-3H-isoindol-1-one
CID 175880127
2-[2-(2-aminoethoxy)ethoxy]ethyl-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]carbamic acid
CID 138695755
2-piperidin-3-yl-5-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]-3H-isoindol-1-one
CID 151756022
4-[(4-chlorophenyl)methoxy]-2-piperidin-3-yl-3H-isoindol-1-one
CID 154000705
5-[1-[(1S)-2-hydroxy-1-phenylethyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 170163358
5-[1-[(3-anilinophenyl)methyl]piperidin-4-yl]-2-piperidin-3-yl-3H-isoindol-1-one
CID 175750870

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one?
The IUPAC name of 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one (CID 175824867) is 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one.
What is the SMILES notation for 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one?
The canonical SMILES for 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one is NCCOCCOCCOCCCc1ccc2c(c1)CN(C1CCCNC1)C2=O.
What is the InChIKey of 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one?
The InChIKey is JVQOPVWZUYFHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O4/c23-7-10-28-12-14-29-13-11-27-9-2-3-18-5-6-21-19(15-18)17-25(22(21)26)20-4-1-8-24-16-20/h5-6,15,20,24H,1-4,7-14,16-17,23H2.
What are the key properties of 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one?
5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one has a molecular weight of 405.54 g/mol, XLogP of 1.34, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propyl]-2-piperidin-3-yl-3H-isoindol-1-one is sourced from PubChem (CID 175824867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).