3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane

C22H33N3O2 — CID 177052728

IUPAC3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
SMILESCC.O=C1CCC(c2ccc(N3CCC4(CCNCC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C20H27N3O2.C2H6/c24-18-6-5-17(19(25)22-18)15-1-3-16(4-2-15)23-13-9-20(10-14-23)7-11-21-12-8-20;1-2/h1-4,17,21H,5-14H2,(H,22,24,25);1-2H3
InChIKeyFGWDJKADTZVDHU-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.20
Rot. Bonds2

About 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane

3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane (PubChem CID 177052728) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
PubChem CID177052728
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
SMILESCC.O=C1CCC(c2ccc(N3CCC4(CCNCC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C20H27N3O2.C2H6/c24-18-6-5-17(19(25)22-18)15-1-3-16(4-2-15)23-13-9-20(10-14-23)7-11-21-12-8-20;1-2/h1-4,17,21H,5-14H2,(H,22,24,25);1-2H3
InChIKeyFGWDJKADTZVDHU-UHFFFAOYSA-N
XLogP3.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane?
The IUPAC name of 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane (CID 177052728) is 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane?
The canonical SMILES for 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane is CC.O=C1CCC(c2ccc(N3CCC4(CCNCC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane?
The InChIKey is FGWDJKADTZVDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.C2H6/c24-18-6-5-17(19(25)22-18)15-1-3-16(4-2-15)23-13-9-20(10-14-23)7-11-21-12-8-20;1-2/h1-4,17,21H,5-14H2,(H,22,24,25);1-2H3.
What are the key properties of 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane?
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane has a molecular weight of 371.53 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane is sourced from PubChem (CID 177052728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).