[3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone

C21H22N2O3 — CID 134790536

IUPAC[3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone
SMILESCOc1ccc(C2=NOC3(CCCN(C(=O)c4ccccc4)C3)C2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-18-10-8-16(9-11-18)19-14-21(26-22-19)12-5-13-23(15-21)20(24)17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3
InChIKeyZVFGBDPGCGMYNV-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.49
Rot. Bonds3

About [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone

[3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone (PubChem CID 134790536) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone
PubChem CID134790536
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name[3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone
SMILESCOc1ccc(C2=NOC3(CCCN(C(=O)c4ccccc4)C3)C2)cc1
InChIInChI=1S/C21H22N2O3/c1-25-18-10-8-16(9-11-18)19-14-21(26-22-19)12-5-13-23(15-21)20(24)17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3
InChIKeyZVFGBDPGCGMYNV-UHFFFAOYSA-N
XLogP3.49
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]phthalazin-1-one
CID 56665357
[3-(2-Methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953068
[5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl](phenyl)methanone
CID 6737699
(3-Hydroxy-3-methylpiperidin-1-yl)(4-((4-methoxyphenyl)ethynyl)phenyl)methanone
CID 60204019
4-[(4-methoxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937526
[3-(4-Methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 1104784
N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3238182
N,N-Diethyl-4-[(4-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10833535
N,N-Diethyl-4-[(4-methoxy-phenyl)-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 16224612
2-Methyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]phthalazin-1-one
CID 56682288
N-benzoyl-5-(-3'-methoxy phenyl)-3-phenylpyrazoline (2f)
CID 84973182
(4-methoxyphenyl)[3-phenyl-5,6-dihydro-1(4H)-pyridazinyl]methanone
CID 1484235

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone?
The IUPAC name of [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone (CID 134790536) is [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone?
The canonical SMILES for [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone is COc1ccc(C2=NOC3(CCCN(C(=O)c4ccccc4)C3)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone?
The InChIKey is ZVFGBDPGCGMYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-18-10-8-16(9-11-18)19-14-21(26-22-19)12-5-13-23(15-21)20(24)17-6-3-2-4-7-17/h2-4,6-11H,5,12-15H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone?
[3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone has a molecular weight of 350.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl]-phenylmethanone is sourced from PubChem (CID 134790536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).