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

C18H26N2O3 — CID 70765346

IUPAC2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(CN2CC3(CCNCC3)CCC2=O)c1OC
InChIInChI=1S/C18H26N2O3/c1-22-15-5-3-4-14(17(15)23-2)12-20-13-18(7-6-16(20)21)8-10-19-11-9-18/h3-5,19H,6-13H2,1-2H3
InChIKeyJXGZKHXSOUHBTN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.20
Rot. Bonds4

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

2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70765346) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70765346
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cccc(CN2CC3(CCNCC3)CCC2=O)c1OC
InChIInChI=1S/C18H26N2O3/c1-22-15-5-3-4-14(17(15)23-2)12-20-13-18(7-6-16(20)21)8-10-19-11-9-18/h3-5,19H,6-13H2,1-2H3
InChIKeyJXGZKHXSOUHBTN-UHFFFAOYSA-N
XLogP2.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(2,3-dimethoxyphenyl)methyl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70706928
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95729851
1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(piperazin-1-ylmethyl)piperidin-2-one
CID 56710713
2-[(2-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecane
CID 3233910
1-[(2,3-dimethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708609
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907099
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63140447
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 154898207
2-[(4-methoxynaphthalen-1-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907098
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119708895
1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-[(piperidin-4-ylamino)methyl]piperidin-2-one
CID 56722761
3-[(3-methoxy-2-prop-2-ynoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 56900212

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70765346) is 2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is COc1cccc(CN2CC3(CCNCC3)CCC2=O)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JXGZKHXSOUHBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-15-5-3-4-14(17(15)23-2)12-20-13-18(7-6-16(20)21)8-10-19-11-9-18/h3-5,19H,6-13H2,1-2H3.
What are the key properties of 2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70765346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).