(3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione

C16H26N4O2 — CID 95568702

IUPAC(3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
SMILESCC1CCN(CN2C(=O)N[C@]3(CN4CCC3CC4)C2=O)CC1
InChIInChI=1S/C16H26N4O2/c1-12-2-6-19(7-3-12)11-20-14(21)16(17-15(20)22)10-18-8-4-13(16)5-9-18/h12-13H,2-11H2,1H3,(H,17,22)/t16-/m0/s1
InChIKeyQCRNLUFXFKOKLX-INIZCTEOSA-N
MW306.41 g/mol
LogP0.69
Rot. Bonds2

About (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione

(3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione (PubChem CID 95568702) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name(3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
PubChem CID95568702
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
SMILESCC1CCN(CN2C(=O)N[C@]3(CN4CCC3CC4)C2=O)CC1
InChIInChI=1S/C16H26N4O2/c1-12-2-6-19(7-3-12)11-20-14(21)16(17-15(20)22)10-18-8-4-13(16)5-9-18/h12-13H,2-11H2,1H3,(H,17,22)/t16-/m0/s1
InChIKeyQCRNLUFXFKOKLX-INIZCTEOSA-N
XLogP0.69
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46799345
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47556184
8-methyl-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2120863
6-methyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17441020
3'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione
CID 58792070
(5S,6S)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 31055657
(5S,6S)-6-methyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 30614782
(5R,6R)-3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9298092
8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4968947
(5S,6R)-6-methyl-3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9172299
ethyl 1-[[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate
CID 9281878
(5R,6S)-6-methyl-3-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9171595

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione (CID 95568702) is (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione is CC1CCN(CN2C(=O)N[C@]3(CN4CCC3CC4)C2=O)CC1.
What is the InChIKey of (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is QCRNLUFXFKOKLX-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-2-6-19(7-3-12)11-20-14(21)16(17-15(20)22)10-18-8-4-13(16)5-9-18/h12-13H,2-11H2,1H3,(H,17,22)/t16-/m0/s1.
What are the key properties of (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione?
(3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 306.41 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[(4-methylpiperidin-1-yl)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 95568702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).