3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one

C22H22N2O3 — CID 155932973

IUPAC3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCOc1ccc(C(=O)C2=NC3(CCCC3)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-27-18-11-9-17(10-12-18)19(25)20-23-22(13-5-6-14-22)21(26)24(20)15-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-15H2,1H3
InChIKeyKITSZWZEPRCQEW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.63
Rot. Bonds5

About 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one

3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one (PubChem CID 155932973) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one
PubChem CID155932973
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one
SMILESCOc1ccc(C(=O)C2=NC3(CCCC3)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C22H22N2O3/c1-27-18-11-9-17(10-12-18)19(25)20-23-22(13-5-6-14-22)21(26)24(20)15-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-15H2,1H3
InChIKeyKITSZWZEPRCQEW-UHFFFAOYSA-N
XLogP3.63
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
2-[4-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]benzoyl]phenoxy]-2-methylpropanoic acid
CID 24945355
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
2-[3-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.5]dec-1-en-3-yl)methyl]benzoyl]phenoxy]-2-methylpropanoic acid
CID 59138175
3-benzyl-8-(4-methoxy-2-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83276943
4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
8-benzyl-9-[(4-methoxyphenyl)methyl]-6-oxa-9-azaspiro[4.5]decan-10-one
CID 23243460
2-(1-benzyl-4-hydroxypiperidin-4-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 67119971
4'-benzoyl-1'-benzyl-2-(4-methoxyphenyl)-5'-phenylspiro[2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-12,3'-pyrrole]-2',10,14-trione
CID 138858450
6-benzyl-5-chloro-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]pyrazin-2-one
CID 53242453
(3S)-3-benzyl-4-[(4-methoxyphenyl)methyl]-1-oxa-4-azaspiro[5.5]undecan-5-one
CID 10872588
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The IUPAC name of 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one (CID 155932973) is 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one.
What is the SMILES notation for 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The canonical SMILES for 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one is COc1ccc(C(=O)C2=NC3(CCCC3)C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
The InChIKey is KITSZWZEPRCQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-27-18-11-9-17(10-12-18)19(25)20-23-22(13-5-6-14-22)21(26)24(20)15-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-15H2,1H3.
What are the key properties of 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one?
3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one has a molecular weight of 362.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-methoxybenzoyl)-1,3-diazaspiro[4.4]non-1-en-4-one is sourced from PubChem (CID 155932973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).