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

C22H24N2O2 — CID 72865421

IUPAC8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)CC(c2ccccc2)C(=O)N3)c1
InChIInChI=1S/C22H24N2O2/c1-16-6-5-9-18(14-16)21(26)24-12-10-22(11-13-24)15-19(20(25)23-22)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3,(H,23,25)
InChIKeyUQCDGTHAELWYSX-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.27
Rot. Bonds2

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

8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 72865421) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID72865421
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(C(=O)N2CCC3(CC2)CC(c2ccccc2)C(=O)N3)c1
InChIInChI=1S/C22H24N2O2/c1-16-6-5-9-18(14-16)21(26)24-12-10-22(11-13-24)15-19(20(25)23-22)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3,(H,23,25)
InChIKeyUQCDGTHAELWYSX-UHFFFAOYSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97207184
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203710
(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190010
(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97194947
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97210266
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97205646
8-(3-fluorobenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155830883
8-(morpholine-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074619
N-cyclopropyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 131640713
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254

Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 72865421) is 8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is Cc1cccc(C(=O)N2CCC3(CC2)CC(c2ccccc2)C(=O)N3)c1.
What is the InChIKey of 8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is UQCDGTHAELWYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-6-5-9-18(14-16)21(26)24-12-10-22(11-13-24)15-19(20(25)23-22)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3,(H,23,25).
What are the key properties of 8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one?
8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72865421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).