7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one

C20H27N3O4 — CID 134070062

IUPAC7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCOc1ccc(CC(=O)N2CCN(C(C)=O)CC3(CC(=O)N(C)C3)C2)cc1
InChIInChI=1S/C20H27N3O4/c1-15(24)22-8-9-23(14-20(13-22)11-19(26)21(2)12-20)18(25)10-16-4-6-17(27-3)7-5-16/h4-7H,8-14H2,1-3H3
InChIKeyIASCRMVHBJUTJV-UHFFFAOYSA-N
MW373.45 g/mol
LogP0.78
Rot. Bonds3

About 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one

7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one (PubChem CID 134070062) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one.

Molecular Properties

Compound Name7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
PubChem CID134070062
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one
SMILESCOc1ccc(CC(=O)N2CCN(C(C)=O)CC3(CC(=O)N(C)C3)C2)cc1
InChIInChI=1S/C20H27N3O4/c1-15(24)22-8-9-23(14-20(13-22)11-19(26)21(2)12-20)18(25)10-16-4-6-17(27-3)7-5-16/h4-7H,8-14H2,1-3H3
InChIKeyIASCRMVHBJUTJV-UHFFFAOYSA-N
XLogP0.78
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one with MolForge

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Related Compounds

10-acetyl-2-ethyl-7-[2-(4-methoxyphenyl)acetyl]-2,7,10-triazaspiro[4.6]undecan-3-one
CID 155900743
(5S)-7-acetyl-2-methyl-10-(3-methylbutanoyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97438966
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
1-[3-(4-acetylpiperazin-1-yl)azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 84579645
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
2-(4-methoxyphenyl)-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 134788121
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one
CID 110867147
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
2-(4-methoxyphenyl)-1-(4-pentylpiperazin-1-yl)ethanone
CID 113075099
1-[2-(4-methoxyphenyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133873

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one?
The IUPAC name of 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one (CID 134070062) is 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one.
What is the SMILES notation for 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one?
The canonical SMILES for 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one is COc1ccc(CC(=O)N2CCN(C(C)=O)CC3(CC(=O)N(C)C3)C2)cc1.
What is the InChIKey of 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one?
The InChIKey is IASCRMVHBJUTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-15(24)22-8-9-23(14-20(13-22)11-19(26)21(2)12-20)18(25)10-16-4-6-17(27-3)7-5-16/h4-7H,8-14H2,1-3H3.
What are the key properties of 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one?
7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one has a molecular weight of 373.45 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-10-[2-(4-methoxyphenyl)acetyl]-2-methyl-2,7,10-triazaspiro[4.6]undecan-3-one is sourced from PubChem (CID 134070062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).