3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione

C26H36FN5O3 — CID 166168049

IUPAC3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCN(CC(=O)N4CCC5(CCCC5)CC4)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C26H36FN5O3/c27-20-17-19(28-21-4-6-23(33)29-25(21)35)3-5-22(20)31-15-13-30(14-16-31)18-24(34)32-11-9-26(10-12-32)7-1-2-8-26/h3,5,17,21,28H,1-2,4,6-16,18H2,(H,29,33,35)
InChIKeySICXCEZALKYFES-UHFFFAOYSA-N
MW485.60 g/mol
LogP2.35
Rot. Bonds5

About 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione

3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione (PubChem CID 166168049) has the molecular formula C26H36FN5O3 and a molecular weight of 485.60 g/mol. Its IUPAC name is 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
PubChem CID166168049
Molecular FormulaC26H36FN5O3
Molecular Weight485.60 g/mol
Exact Mass485.28
IUPAC Name3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2ccc(N3CCN(CC(=O)N4CCC5(CCCC5)CC4)CC3)c(F)c2)C(=O)N1
InChIInChI=1S/C26H36FN5O3/c27-20-17-19(28-21-4-6-23(33)29-25(21)35)3-5-22(20)31-15-13-30(14-16-31)18-24(34)32-11-9-26(10-12-32)7-1-2-8-26/h3,5,17,21,28H,1-2,4,6-16,18H2,(H,29,33,35)
InChIKeySICXCEZALKYFES-UHFFFAOYSA-N
XLogP2.35
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]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

5-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperazin-1-yl]pentanoic acid
CID 171637309
tert-butyl 4-[[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperazin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 172591958
(3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione
CID 175831310
3-[4-[4-[(4-aminocyclohexyl)methyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 171598924
3-[3-fluoro-4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]piperidine-2,6-dione;hydrochloride
CID 178082091
tert-butyl 7-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 167463249
3-[3-fluoro-4-[4-[(7-pyrimidin-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]piperazin-1-yl]anilino]piperidine-2,6-dione
CID 170728239
tert-butyl 4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]piperidine-1-carboxylate;ethane
CID 170749705
(3S)-3-[4-[1-(2-oxo-2-piperazin-1-ylethyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 175885718
tert-butyl 2-[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetate
CID 156506261
tert-butyl 4-[2-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-4-yl]ethyl]piperidine-1-carboxylate
CID 164720022
3-[3-fluoro-4-[4-[4-(methylamino)cyclohexyl]piperazin-1-yl]anilino]piperidine-2,6-dione
CID 172590660

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione (CID 166168049) is 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione is O=C1CCC(Nc2ccc(N3CCN(CC(=O)N4CCC5(CCCC5)CC4)CC3)c(F)c2)C(=O)N1.
What is the InChIKey of 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?
The InChIKey is SICXCEZALKYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN5O3/c27-20-17-19(28-21-4-6-23(33)29-25(21)35)3-5-22(20)31-15-13-30(14-16-31)18-24(34)32-11-9-26(10-12-32)7-1-2-8-26/h3,5,17,21,28H,1-2,4,6-16,18H2,(H,29,33,35).
What are the key properties of 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione?
3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione has a molecular weight of 485.60 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione is sourced from PubChem (CID 166168049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).