(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C15H19NO3 — CID 171944232

IUPAC(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1cccc(C(=O)C2CC3COCC(C2)N3)c1
InChIInChI=1S/C15H19NO3/c1-18-14-4-2-3-10(7-14)15(17)11-5-12-8-19-9-13(6-11)16-12/h2-4,7,11-13,16H,5-6,8-9H2,1H3
InChIKeyZWLAGEYIRSWFBQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.64
Rot. Bonds3

About (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171944232) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171944232
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1cccc(C(=O)C2CC3COCC(C2)N3)c1
InChIInChI=1S/C15H19NO3/c1-18-14-4-2-3-10(7-14)15(17)11-5-12-8-19-9-13(6-11)16-12/h2-4,7,11-13,16H,5-6,8-9H2,1H3
InChIKeyZWLAGEYIRSWFBQ-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947712
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
2-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)benzonitrile
CID 171939716
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097286
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] 3-methoxybenzoate
CID 11276989
(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947320
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
5-(3-methoxybenzoyl)oxolan-2-one
CID 82127589
3-(3-methoxybenzoyl)oxolan-2-one
CID 59244973
cyclohex-3-en-1-yl-(3-methoxyphenyl)methanone
CID 175706022

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171944232) is (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is COc1cccc(C(=O)C2CC3COCC(C2)N3)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is ZWLAGEYIRSWFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-18-14-4-2-3-10(7-14)15(17)11-5-12-8-19-9-13(6-11)16-12/h2-4,7,11-13,16H,5-6,8-9H2,1H3.
What are the key properties of (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 261.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171944232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).