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

C23H33N3O3 — CID 131681380

IUPAC9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1ccc(CN2CCCC3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H33N3O3/c1-29-20-7-5-19(6-8-20)17-24-13-4-10-23(12-16-24)11-9-21(27)26(23)18-22(28)25-14-2-3-15-25/h5-8H,2-4,9-18H2,1H3
InChIKeyJDRQVBWUEDYOCU-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.66
Rot. Bonds5

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

9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 131681380) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID131681380
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOc1ccc(CN2CCCC3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1
InChIInChI=1S/C23H33N3O3/c1-29-20-7-5-19(6-8-20)17-24-13-4-10-23(12-16-24)11-9-21(27)26(23)18-22(28)25-14-2-3-15-25/h5-8H,2-4,9-18H2,1H3
InChIKeyJDRQVBWUEDYOCU-UHFFFAOYSA-N
XLogP2.66
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681147
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
1-benzyl-8-[(4-methoxyphenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97372701
9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131678839
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
1-[(4-methoxyphenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684831
3-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 46510211
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
1-ethyl-4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 46493015
1-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 30954023
3-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55517784

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 131681380) is 9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one is COc1ccc(CN2CCCC3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1.
What is the InChIKey of 9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is JDRQVBWUEDYOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-29-20-7-5-19(6-8-20)17-24-13-4-10-23(12-16-24)11-9-21(27)26(23)18-22(28)25-14-2-3-15-25/h5-8H,2-4,9-18H2,1H3.
What are the key properties of 9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one?
9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 399.54 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methyl]-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 131681380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).