(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

C22H24N2O3 — CID 97207184

IUPAC(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c1
InChIInChI=1S/C22H24N2O3/c1-27-18-9-5-8-17(14-18)21(26)24-12-10-22(11-13-24)15-19(20(25)23-22)16-6-3-2-4-7-16/h2-9,14,19H,10-13,15H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyJJPDYTOKQPOTTO-LJQANCHMSA-N
MW364.45 g/mol
LogP2.97
Rot. Bonds3

About (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one

(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97207184) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97207184
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c1
InChIInChI=1S/C22H24N2O3/c1-27-18-9-5-8-17(14-18)21(26)24-12-10-22(11-13-24)15-19(20(25)23-22)16-6-3-2-4-7-16/h2-9,14,19H,10-13,15H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyJJPDYTOKQPOTTO-LJQANCHMSA-N
XLogP2.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72865421
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190010
8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27421170
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203710
8-(3-fluorobenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155830883
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97210266
8-[(2-fluoro-4-methoxyphenyl)methyl]-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72881025
8-(morpholine-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074619
(4S)-8-(3-methoxybenzoyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97197781
1'-(3-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134792987
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97207184) is (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is COc1cccc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N3)c1.
What is the InChIKey of (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JJPDYTOKQPOTTO-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-18-9-5-8-17(14-18)21(26)24-12-10-22(11-13-24)15-19(20(25)23-22)16-6-3-2-4-7-16/h2-9,14,19H,10-13,15H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97207184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).