1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

C18H26N2O3 — CID 131649622

IUPAC1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCOc1cccc(CN2CCOC3(CCCN(C(C)=O)C3)C2)c1
InChIInChI=1S/C18H26N2O3/c1-15(21)20-8-4-7-18(14-20)13-19(9-10-23-18)12-16-5-3-6-17(11-16)22-2/h3,5-6,11H,4,7-10,12-14H2,1-2H3
InChIKeyHKEDMJHPMVNWIQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.91
Rot. Bonds3

About 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone

1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (PubChem CID 131649622) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
PubChem CID131649622
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
SMILESCOc1cccc(CN2CCOC3(CCCN(C(C)=O)C3)C2)c1
InChIInChI=1S/C18H26N2O3/c1-15(21)20-8-4-7-18(14-20)13-19(9-10-23-18)12-16-5-3-6-17(11-16)22-2/h3,5-6,11H,4,7-10,12-14H2,1-2H3
InChIKeyHKEDMJHPMVNWIQ-UHFFFAOYSA-N
XLogP1.91
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3-methoxyphenyl)methyl]-4-methyl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134077366
(5S)-7-[(3-methoxyphenyl)methyl]-1-oxa-7-azaspiro[4.4]nonane
CID 97374289
1-[(6R)-4-(thiophen-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372386
1-[(6R)-8-(furan-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanone
CID 95043139
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-morpholin-4-ylmethanone
CID 97482761
1-[(6R)-4-[(5-methylthiophen-2-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 97372389
[9-[(3-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-thiophen-3-ylmethanone
CID 155878851
[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97482755
8-[(3-methoxyphenyl)methyl]-4-propan-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155877545
4-[(3-methoxyphenyl)methyl]-8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 155877754
(6S)-8-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492001
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The IUPAC name of 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone (CID 131649622) is 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone.
What is the SMILES notation for 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The canonical SMILES for 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is COc1cccc(CN2CCOC3(CCCN(C(C)=O)C3)C2)c1.
What is the InChIKey of 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
The InChIKey is HKEDMJHPMVNWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-15(21)20-8-4-7-18(14-20)13-19(9-10-23-18)12-16-5-3-6-17(11-16)22-2/h3,5-6,11H,4,7-10,12-14H2,1-2H3.
What are the key properties of 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone?
1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone has a molecular weight of 318.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxyphenyl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone is sourced from PubChem (CID 131649622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).