(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H26N4O — CID 97391603

IUPAC(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C20H26N4O/c1-22-13-10-21-18(22)15-24-11-8-20(9-12-24)14-17(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/t17-/m0/s1
InChIKeySODOFGDQWGJERQ-KRWDZBQOSA-N
MW338.46 g/mol
LogP2.40
Rot. Bonds3

About (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97391603) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97391603
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1nccn1C)CC2
InChIInChI=1S/C20H26N4O/c1-22-13-10-21-18(22)15-24-11-8-20(9-12-24)14-17(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/t17-/m0/s1
InChIKeySODOFGDQWGJERQ-KRWDZBQOSA-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 ≤ 500338.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131654285
8-[(2-ethylpyrimidin-5-yl)methyl]-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72894428
1-methyl-3-phenyl-8-(2-propoxyethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 72874996
(3R)-1-methyl-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97205793
5-[[(3R)-1-methyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97199375
8-cyclopentyl-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72880607
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
1-(2-methoxyethyl)-3-phenyl-8-(1,3-thiazol-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653748
(3R)-1-methyl-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469562
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769
(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124815931

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97391603) is (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1nccn1C)CC2.
What is the InChIKey of (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is SODOFGDQWGJERQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22-13-10-21-18(22)15-24-11-8-20(9-12-24)14-17(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/t17-/m0/s1.
What are the key properties of (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 338.46 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 (3S)-1-methyl-8-[(1-methylimidazol-2-yl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97391603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).