3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone

C19H25NO3 — CID 171153449

IUPAC3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone
SMILESO=C(c1cc(O)cc(OCC2CC2)c1)N1CC2CCCC(C2)C1
InChIInChI=1S/C19H25NO3/c21-17-7-16(8-18(9-17)23-12-13-4-5-13)19(22)20-10-14-2-1-3-15(6-14)11-20/h7-9,13-15,21H,1-6,10-12H2
InChIKeyBOYBMDNDMHLHJZ-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.44
Rot. Bonds4

About 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone

3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone (PubChem CID 171153449) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone.

Molecular Properties

Compound Name3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone
PubChem CID171153449
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone
SMILESO=C(c1cc(O)cc(OCC2CC2)c1)N1CC2CCCC(C2)C1
InChIInChI=1S/C19H25NO3/c21-17-7-16(8-18(9-17)23-12-13-4-5-13)19(22)20-10-14-2-1-3-15(6-14)11-20/h7-9,13-15,21H,1-6,10-12H2
InChIKeyBOYBMDNDMHLHJZ-UHFFFAOYSA-N
XLogP3.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone with MolForge

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Related Compounds

[3-(cyclopropylmethoxy)-5-hydroxyphenyl]-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 163318255
methyl 3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-5-(cyclobutylmethoxy)benzoate
CID 70784227
3-hydroxy-5-(oxan-4-ylmethoxy)benzamide
CID 59527022
3-azabicyclo[3.3.1]nonan-3-yl-(2-bromo-4-pyridinyl)methanone
CID 114196387
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
methyl 3-(cyclobutylmethoxy)-5-(thiomorpholine-4-carbonyl)benzoate
CID 70757141
1-[3-hydroxy-5-(2-methylpropoxy)benzoyl]azetidine-3-carbonitrile
CID 137344281
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 84582449
(3S,4S)-1-[4-(cyclopropylmethoxy)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952218
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
(3,5-dihydroxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103579430

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone?
The IUPAC name of 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone (CID 171153449) is 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone.
What is the SMILES notation for 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone?
The canonical SMILES for 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone is O=C(c1cc(O)cc(OCC2CC2)c1)N1CC2CCCC(C2)C1.
What is the InChIKey of 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone?
The InChIKey is BOYBMDNDMHLHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-17-7-16(8-18(9-17)23-12-13-4-5-13)19(22)20-10-14-2-1-3-15(6-14)11-20/h7-9,13-15,21H,1-6,10-12H2.
What are the key properties of 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone?
3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone has a molecular weight of 315.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.3.1]nonan-3-yl-[3-(cyclopropylmethoxy)-5-hydroxyphenyl]methanone is sourced from PubChem (CID 171153449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).