(3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione

C27H36F2N4O3 — CID 175831310

IUPAC(3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione
SMILESO=C1CC[C@H](Nc2ccc(C3CCN(CC(=O)N4CCC5(CCCC5)CC4)CC3)c(F)c2F)C(=O)N1
InChIInChI=1S/C27H36F2N4O3/c28-24-19(3-4-20(25(24)29)30-21-5-6-22(34)31-26(21)36)18-7-13-32(14-8-18)17-23(35)33-15-11-27(12-16-33)9-1-2-10-27/h3-4,18,21,30H,1-2,5-17H2,(H,31,34,36)/t21-/m0/s1
InChIKeyGYBWKDJUSVOWLQ-NRFANRHFSA-N
MW502.61 g/mol
LogP3.54
Rot. Bonds5

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

(3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione (PubChem CID 175831310) has the molecular formula C27H36F2N4O3 and a molecular weight of 502.61 g/mol. Its IUPAC name is (3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione.

Molecular Properties

Compound Name(3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione
PubChem CID175831310
Molecular FormulaC27H36F2N4O3
Molecular Weight502.61 g/mol
Exact Mass502.28
IUPAC Name(3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione
SMILESO=C1CC[C@H](Nc2ccc(C3CCN(CC(=O)N4CCC5(CCCC5)CC4)CC3)c(F)c2F)C(=O)N1
InChIInChI=1S/C27H36F2N4O3/c28-24-19(3-4-20(25(24)29)30-21-5-6-22(34)31-26(21)36)18-7-13-32(14-8-18)17-23(35)33-15-11-27(12-16-33)9-1-2-10-27/h3-4,18,21,30H,1-2,5-17H2,(H,31,34,36)/t21-/m0/s1
InChIKeyGYBWKDJUSVOWLQ-NRFANRHFSA-N
XLogP3.54
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione with MolForge

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Related Compounds

3-[4-[4-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione
CID 166168049
3-[5-fluoro-2-methoxy-4-[1-[2-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione
CID 167237636
(3S)-3-[4-[1-(2-oxo-2-piperazin-1-ylethyl)piperidin-4-yl]anilino]piperidine-2,6-dione
CID 175885718
2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid
CID 175548556
2-[4-[2-(difluoromethyl)-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]acetic acid
CID 156515724
tert-butyl 2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-3-fluorophenyl]piperidin-1-yl]acetate
CID 156516068
3-[3-fluoro-4-(1-propylpiperidin-4-yl)anilino]piperidine-2,6-dione
CID 168856935
3-[3-[4-(cyclohexylmethyl)piperazin-1-yl]-2-fluoroanilino]piperidine-2,6-dione
CID 170952320
6-[2-cyano-3-[[ethyl(methyl)sulfamoyl]amino]-6-fluorophenoxy]-3-[(3S)-8-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]-8-azaspiro[4.5]decan-3-yl]-4-oxoquinazoline
CID 166168084
2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]piperidin-1-yl]acetic acid;hydrochloride
CID 175756578
2-[3-[8-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]acetyl]-8-azaspiro[4.5]decan-3-yl]-5-methyl-4-oxoquinazolin-6-yl]oxy-6-[[ethyl(methyl)amino]sulfanylamino]-3-fluorobenzonitrile
CID 166169311
2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetic acid
CID 166472394

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione?
The IUPAC name of (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) is (3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione.
What is the SMILES notation for (3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione?
The canonical SMILES for (3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione is O=C1CC[C@H](Nc2ccc(C3CCN(CC(=O)N4CCC5(CCCC5)CC4)CC3)c(F)c2F)C(=O)N1.
What is the InChIKey of (3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione?
The InChIKey is GYBWKDJUSVOWLQ-NRFANRHFSA-N. The full InChI is InChI=1S/C27H36F2N4O3/c28-24-19(3-4-20(25(24)29)30-21-5-6-22(34)31-26(21)36)18-7-13-32(14-8-18)17-23(35)33-15-11-27(12-16-33)9-1-2-10-27/h3-4,18,21,30H,1-2,5-17H2,(H,31,34,36)/t21-/m0/s1.
What are the key properties of (3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione?
(3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione has a molecular weight of 502.61 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[1-[2-(8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-4-yl]-2,3-difluoroanilino]piperidine-2,6-dione is sourced from PubChem (CID 175831310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).