3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride

C26H39ClN4O2 — CID 178081993

IUPAC3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(c2ccc(N3CCC(CN4CCC5(CCNCC5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C26H38N4O2.ClH/c31-24-6-5-23(25(32)28-24)21-1-3-22(4-2-21)30-15-7-20(8-16-30)19-29-17-11-26(12-18-29)9-13-27-14-10-26;/h1-4,20,23,27H,5-19H2,(H,28,31,32);1H
InChIKeyIMNJLWBZTGVMGY-UHFFFAOYSA-N
MW475.08 g/mol
LogP3.31
Rot. Bonds4

About 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride

3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride (PubChem CID 178081993) has the molecular formula C26H39ClN4O2 and a molecular weight of 475.08 g/mol. Its IUPAC name is 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
PubChem CID178081993
Molecular FormulaC26H39ClN4O2
Molecular Weight475.08 g/mol
Exact Mass474.28
IUPAC Name3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride
SMILESCl.O=C1CCC(c2ccc(N3CCC(CN4CCC5(CCNCC5)CC4)CC3)cc2)C(=O)N1
InChIInChI=1S/C26H38N4O2.ClH/c31-24-6-5-23(25(32)28-24)21-1-3-22(4-2-21)30-15-7-20(8-16-30)19-29-17-11-26(12-18-29)9-13-27-14-10-26;/h1-4,20,23,27H,5-19H2,(H,28,31,32);1H
InChIKeyIMNJLWBZTGVMGY-UHFFFAOYSA-N
XLogP3.31
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.08
LogP ≤ 53.31
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-(3,9-diazaspiro[5.5]undecan-3-yl)phenyl]piperidine-2,6-dione;ethane
CID 177052728
3-[4-[4-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione
CID 172630584
3-[4-[9-(piperazin-1-ylmethyl)-3-azaspiro[5.5]undecane-3-carbonyl]phenyl]piperidine-2,6-dione
CID 166066223
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
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
(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-[4-(hydroxymethyl)cyclohexyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 170325363
3-[4-[6-(hydroxymethyl)-2-azaspiro[3.3]heptan-2-yl]phenyl]piperidine-2,6-dione
CID 178005874
3-[4-[4-[[1-[4-amino-5-methoxy-2-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]methyl]piperazin-1-yl]phenyl]piperidine-2,6-dione
CID 166095479
2-[5-[4-[2-[4-[[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]methyl]piperidin-1-yl]-2-oxoethyl]phenyl]-2-pyridinyl]-2-phenylacetamide
CID 178082066

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride (CID 178081993) is 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride is Cl.O=C1CCC(c2ccc(N3CCC(CN4CCC5(CCNCC5)CC4)CC3)cc2)C(=O)N1.
What is the InChIKey of 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride?
The InChIKey is IMNJLWBZTGVMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O2.ClH/c31-24-6-5-23(25(32)28-24)21-1-3-22(4-2-21)30-15-7-20(8-16-30)19-29-17-11-26(12-18-29)9-13-27-14-10-26;/h1-4,20,23,27H,5-19H2,(H,28,31,32);1H.
What are the key properties of 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride?
3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride has a molecular weight of 475.08 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)piperidin-1-yl]phenyl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 178081993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).