3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione

C24H30N2O3 — CID 177052290

IUPAC3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(C#CCOC3CCC4(CCNCC4)CC3)c2)C(=O)N1
InChIInChI=1S/C24H30N2O3/c27-22-7-6-21(23(28)26-22)19-5-1-3-18(17-19)4-2-16-29-20-8-10-24(11-9-20)12-14-25-15-13-24/h1,3,5,17,20-21,25H,6-16H2,(H,26,27,28)
InChIKeyBKCMYNLSXGSAPL-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.89
Rot. Bonds3

About 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione

3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione (PubChem CID 177052290) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione
PubChem CID177052290
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2cccc(C#CCOC3CCC4(CCNCC4)CC3)c2)C(=O)N1
InChIInChI=1S/C24H30N2O3/c27-22-7-6-21(23(28)26-22)19-5-1-3-18(17-19)4-2-16-29-20-8-10-24(11-9-20)12-14-25-15-13-24/h1,3,5,17,20-21,25H,6-16H2,(H,26,27,28)
InChIKeyBKCMYNLSXGSAPL-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(2,7-diazaspiro[3.5]nonan-2-yl)phenyl]piperidine-2,6-dione
CID 170979872
3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]prop-2-ynoxy]cyclobutane-1-carboxylic acid
CID 171853489
3-(3-piperidin-4-yloxyphenyl)piperidine-2,6-dione
CID 170325193
tert-butyl N-[1-[4-[4-[3-[3-(2,6-dioxopiperidin-3-yl)phenyl]prop-2-ynoxy]piperidine-1-carbonyl]piperidin-1-yl]sulfonylpiperidin-4-yl]carbamate
CID 177052936
CID 177052361
CID 177052361
CID 177052632
CID 177052632
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
(4-aminopiperidin-1-yl)-[4-[[4-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]prop-2-ynoxy]piperidin-1-yl]methyl]piperidin-1-yl]-hydroxysulfanium
CID 177052442
3-[3-[3-[1-[[1-[4-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfanylpiperidin-4-yl]methyl]piperidin-4-yl]oxyprop-1-ynyl]phenyl]piperidine-2,6-dione
CID 177052476
3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione
CID 164540943
3-[3-[9-(2-aminoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]phenyl]piperidine-2,6-dione
CID 177052731
ethane;3-[3-(3-piperazin-1-ylazetidin-1-yl)phenyl]piperidine-2,6-dione
CID 177363109

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione (CID 177052290) is 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione is O=C1CCC(c2cccc(C#CCOC3CCC4(CCNCC4)CC3)c2)C(=O)N1.
What is the InChIKey of 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione?
The InChIKey is BKCMYNLSXGSAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-22-7-6-21(23(28)26-22)19-5-1-3-18(17-19)4-2-16-29-20-8-10-24(11-9-20)12-14-25-15-13-24/h1,3,5,17,20-21,25H,6-16H2,(H,26,27,28).
What are the key properties of 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione?
3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione has a molecular weight of 394.52 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-azaspiro[5.5]undecan-9-yloxy)prop-1-ynyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 177052290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).