9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

C25H32N2O2 — CID 131681147

IUPAC9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1ccc(CN2CCCC3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O2/c1-20-4-6-22(7-5-20)19-27-24(28)12-14-25(27)13-3-16-26(17-15-25)18-21-8-10-23(29-2)11-9-21/h4-11H,3,12-19H2,1-2H3
InChIKeyZWLJDNFTWKQLJH-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.55
Rot. Bonds5

About 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one

9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131681147) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131681147
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1ccc(CN2CCCC3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C25H32N2O2/c1-20-4-6-22(7-5-20)19-27-24(28)12-14-25(27)13-3-16-26(17-15-25)18-21-8-10-23(29-2)11-9-21/h4-11H,3,12-19H2,1-2H3
InChIKeyZWLJDNFTWKQLJH-UHFFFAOYSA-N
XLogP4.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131681380
9-(cyclopropylmethyl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681519
9-(4,6-dimethoxypyrimidin-2-yl)-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681182
(5R)-1-ethyl-9-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370894
1-[(4-fluorophenyl)methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131682828
8-(1-fluorocyclobutanecarbonyl)-1-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131685000
8-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1,8-diazaspiro[4.5]decane-1-carboxamide
CID 97451347
9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645106
(5R)-1-ethyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97370892
9-(cyclopropylmethyl)-1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681092

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one (CID 131681147) is 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is COc1ccc(CN2CCCC3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is ZWLJDNFTWKQLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20-4-6-22(7-5-20)19-27-24(28)12-14-25(27)13-3-16-26(17-15-25)18-21-8-10-23(29-2)11-9-21/h4-11H,3,12-19H2,1-2H3.
What are the key properties of 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one?
9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 392.54 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131681147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).