1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H26N4O — CID 131654285

IUPAC1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccccc2)C12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C20H26N4O/c1-22-13-10-21-18(22)15-24-11-8-20(9-12-24)17(14-19(25)23(20)2)16-6-4-3-5-7-16/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3
InChIKeyUEFKZRBKISIRJY-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.40
Rot. Bonds3

About 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131654285) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131654285
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CC(c2ccccc2)C12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C20H26N4O/c1-22-13-10-21-18(22)15-24-11-8-20(9-12-24)17(14-19(25)23(20)2)16-6-4-3-5-7-16/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3
InChIKeyUEFKZRBKISIRJY-UHFFFAOYSA-N
XLogP2.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97391603
(4S)-1-ethyl-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470063
8-(furan-2-ylmethyl)-1-methyl-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131639615
1-methyl-4-phenyl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118740873
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469969
1-methyl-8-(5-methylpyrimidin-2-yl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 118738925
(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124815931
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769
1-methyl-4-pyridin-4-yl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131655923
1-methyl-4-pyridin-4-yl-8-(thiophen-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155843077
1'-[(1-methylimidazol-2-yl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 97452734
1'-[(1-methylimidazol-2-yl)methyl]-2-phenylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 157020194

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 131654285) is 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)CC(c2ccccc2)C12CCN(Cc1nccn1C)CC2.
What is the InChIKey of 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UEFKZRBKISIRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-13-10-21-18(22)15-24-11-8-20(9-12-24)17(14-19(25)23(20)2)16-6-4-3-5-7-16/h3-7,10,13,17H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 338.45 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131654285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).