(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C22H28N4O2 — CID 97197653

IUPAC(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2
InChIInChI=1S/C22H28N4O2/c1-17-23-10-13-26(17)15-20(27)25-11-8-22(9-12-25)14-19(21(28)24(2)16-22)18-6-4-3-5-7-18/h3-7,10,13,19H,8-9,11-12,14-16H2,1-2H3/t19-/m1/s1
InChIKeyKJMSVSPXDFPQNI-LJQANCHMSA-N
MW380.49 g/mol
LogP2.45
Rot. Bonds3

About (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97197653) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97197653
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nccn1CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2
InChIInChI=1S/C22H28N4O2/c1-17-23-10-13-26(17)15-20(27)25-11-8-22(9-12-25)14-19(21(28)24(2)16-22)18-6-4-3-5-7-18/h3-7,10,13,19H,8-9,11-12,14-16H2,1-2H3/t19-/m1/s1
InChIKeyKJMSVSPXDFPQNI-LJQANCHMSA-N
XLogP2.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97206608
2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97144452
4-methyl-1-[(4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pentane-1,2-dione
CID 97127092
2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97443621
propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72939969
(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97194947
(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794
(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97149815
(4S)-2-cyclopropyl-9-(2-methylsulfanylacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97190134
(4S)-2-cyclopropyl-4-phenyl-9-[2-(1,2,4-triazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97434858
9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72894402

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97197653) is (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is Cc1nccn1CC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C)C2.
What is the InChIKey of (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KJMSVSPXDFPQNI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17-23-10-13-26(17)15-20(27)25-11-8-22(9-12-25)14-19(21(28)24(2)16-22)18-6-4-3-5-7-18/h3-7,10,13,19H,8-9,11-12,14-16H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.49 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97197653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).