1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

C20H26N2O5 — CID 162631408

IUPAC1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C20H26N2O5/c1-25-11-10-21-8-2-6-20(19(21)24)7-3-9-22(20)18(23)13-15-4-5-16-17(12-15)27-14-26-16/h4-5,12H,2-3,6-11,13-14H2,1H3
InChIKeyYFQZDLPTFJARNF-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.59
Rot. Bonds5

About 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162631408) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162631408
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2C(=O)Cc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C20H26N2O5/c1-25-11-10-21-8-2-6-20(19(21)24)7-3-9-22(20)18(23)13-15-4-5-16-17(12-15)27-14-26-16/h4-5,12H,2-3,6-11,13-14H2,1H3
InChIKeyYFQZDLPTFJARNF-UHFFFAOYSA-N
XLogP1.59
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one with MolForge

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Related Compounds

1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629125
3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56755449
9-(2-hydroxyethyl)-1-[2-(4-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019736
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019313
1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163306693
1-(4-fluoro-2-methoxybenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163312104
1-(4,6-dimethylpyrimidine-5-carbonyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162636176
1-[2-(3-methoxyphenyl)acetyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162627422
1-(2,3-dichlorobenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162632388
8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 131657593
2-(1,3-benzodioxol-5-yl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 131658692
1-[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 97119225

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162631408) is 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is COCCN1CCCC2(CCCN2C(=O)Cc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is YFQZDLPTFJARNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-25-11-10-21-8-2-6-20(19(21)24)7-3-9-22(20)18(23)13-15-4-5-16-17(12-15)27-14-26-16/h4-5,12H,2-3,6-11,13-14H2,1H3.
What are the key properties of 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 374.44 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162631408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).