9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

C18H26N2O2 — CID 98894470

IUPAC9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccccc1CN1CCC2(CCC(=O)N(C)C2)CC1
InChIInChI=1S/C18H26N2O2/c1-19-14-18(8-7-17(19)21)9-11-20(12-10-18)13-15-5-3-4-6-16(15)22-2/h3-6H,7-14H2,1-2H3
InChIKeyKNYRYHWYCZKVGP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.53
Rot. Bonds3

About 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 98894470) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID98894470
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccccc1CN1CCC2(CCC(=O)N(C)C2)CC1
InChIInChI=1S/C18H26N2O2/c1-19-14-18(8-7-17(19)21)9-11-20(12-10-18)13-15-5-3-4-6-16(15)22-2/h3-6H,7-14H2,1-2H3
InChIKeyKNYRYHWYCZKVGP-UHFFFAOYSA-N
XLogP2.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]acetic acid
CID 70706893
9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70706928
9-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70778993
3-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 77084715
(2R)-2-[2-[(2-ethyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]phenoxy]propanoic acid
CID 97152498
9-[(2-ethoxyphenyl)methyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70745249
1-[(5S)-2-[(2-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]ethanone
CID 3233425
2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70763802
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
2-(2-hydroxyethyl)-9-[(2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70760143
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (CID 98894470) is 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is COc1ccccc1CN1CCC2(CCC(=O)N(C)C2)CC1.
What is the InChIKey of 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is KNYRYHWYCZKVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-19-14-18(8-7-17(19)21)9-11-20(12-10-18)13-15-5-3-4-6-16(15)22-2/h3-6H,7-14H2,1-2H3.
What are the key properties of 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 302.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methoxyphenyl)methyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 98894470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).