2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

C22H34N2O3 — CID 56903739

IUPAC2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCN(Cc3cccc(OC(C)C)c3)CC2)CC1
InChIInChI=1S/C22H34N2O3/c1-18(2)27-20-6-4-5-19(15-20)16-23-11-7-22(8-12-23)9-13-24(14-10-22)21(25)17-26-3/h4-6,15,18H,7-14,16-17H2,1-3H3
InChIKeyZBNINHWRKJFRFZ-UHFFFAOYSA-N
MW374.52 g/mol
LogP3.32
Rot. Bonds6

About 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone

2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (PubChem CID 56903739) has the molecular formula C22H34N2O3 and a molecular weight of 374.52 g/mol. Its IUPAC name is 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
PubChem CID56903739
Molecular FormulaC22H34N2O3
Molecular Weight374.52 g/mol
Exact Mass374.26
IUPAC Name2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
SMILESCOCC(=O)N1CCC2(CCN(Cc3cccc(OC(C)C)c3)CC2)CC1
InChIInChI=1S/C22H34N2O3/c1-18(2)27-20-6-4-5-19(15-20)16-23-11-7-22(8-12-23)9-13-24(14-10-22)21(25)17-26-3/h4-6,15,18H,7-14,16-17H2,1-3H3
InChIKeyZBNINHWRKJFRFZ-UHFFFAOYSA-N
XLogP3.32
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone with MolForge

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Related Compounds

1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
3-amino-1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320746
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
2-methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 97449602
4-N'-(3-fluorophenyl)-1-[(3-propan-2-yloxyphenyl)methyl]piperidine-4,4-diamine
CID 70327411
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
(3,4-dimethoxyphenyl)-[4-[(3-propan-2-yloxyphenyl)methyl]piperazin-1-yl]methanone
CID 55832003
9-[[3-(4-chlorophenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
CID 67535423
1-[(5S)-9-[(3-ethenylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-methoxyethanone
CID 95211406
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
2-[1-[(3-propan-2-yloxyphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116684643
1-[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-2-methoxyethanone
CID 3233949

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The IUPAC name of 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone (CID 56903739) is 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is COCC(=O)N1CCC2(CCN(Cc3cccc(OC(C)C)c3)CC2)CC1.
What is the InChIKey of 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
The InChIKey is ZBNINHWRKJFRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-18(2)27-20-6-4-5-19(15-20)16-23-11-7-22(8-12-23)9-13-24(14-10-22)21(25)17-26-3/h4-6,15,18H,7-14,16-17H2,1-3H3.
What are the key properties of 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone?
2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone has a molecular weight of 374.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[9-[(3-propan-2-yloxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone is sourced from PubChem (CID 56903739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).