3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione

C22H30N4O2 — CID 172630584

IUPAC3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCC(CN4CC5(CNC5)C4)CC3)cc2)C(=O)N1
InChIInChI=1S/C22H30N4O2/c27-20-6-5-19(21(28)24-20)17-1-3-18(4-2-17)26-9-7-16(8-10-26)11-25-14-22(15-25)12-23-13-22/h1-4,16,19,23H,5-15H2,(H,24,27,28)
InChIKeyARZSWYXTLFGATH-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.33
Rot. Bonds4

About 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione

3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione (PubChem CID 172630584) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
PubChem CID172630584
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(N3CCC(CN4CC5(CNC5)C4)CC3)cc2)C(=O)N1
InChIInChI=1S/C22H30N4O2/c27-20-6-5-19(21(28)24-20)17-1-3-18(4-2-17)26-9-7-16(8-10-26)11-25-14-22(15-25)12-23-13-22/h1-4,16,19,23H,5-15H2,(H,24,27,28)
InChIKeyARZSWYXTLFGATH-UHFFFAOYSA-N
XLogP1.33
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
CID 178081993
3-[4-[(3S)-3-[[(3S)-3-fluoropiperidin-1-yl]methyl]pyrrolidin-1-yl]phenyl]piperidine-2,6-dione
CID 167190159
[1-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperidin-4-yl]methylcarbamic acid
CID 174225411
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 178005874
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
(3S)-3-[4-[2-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]phenyl]piperidine-2,6-dione
CID 170706589
(3R)-3-[4-[2-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]phenyl]piperidine-2,6-dione
CID 170706421
3-[4-[4-(cyclohexylmethylamino)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 171406493
3-[4-[4-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363
3-[4-(4-butan-2-ylpiperazin-1-yl)phenyl]piperidine-2,6-dione
CID 178116151
3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171406546

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione (CID 172630584) is 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(N3CCC(CN4CC5(CNC5)C4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione?
The InChIKey is ARZSWYXTLFGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-20-6-5-19(21(28)24-20)17-1-3-18(4-2-17)26-9-7-16(8-10-26)11-25-14-22(15-25)12-23-13-22/h1-4,16,19,23H,5-15H2,(H,24,27,28).
What are the key properties of 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione?
3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione has a molecular weight of 382.51 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 172630584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).