[(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone

C25H29NO2 — CID 51002779

IUPAC[(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
SMILESCOc1cccc([C@@]23CCC[C@@H](C2)N(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC3)c1
InChIInChI=1S/C25H29NO2/c1-28-21-11-5-9-19(15-21)25-12-6-10-20(17-25)26(14-13-25)24(27)23-16-22(23)18-7-3-2-4-8-18/h2-5,7-9,11,15,20,22-23H,6,10,12-14,16-17H2,1H3/t20-,22+,23+,25+/m0/s1
InChIKeyXZCPVVCRBYKXQG-LVVCFHABSA-N
MW375.51 g/mol
LogP4.91
Rot. Bonds4

About [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone

[(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone (PubChem CID 51002779) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name[(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
PubChem CID51002779
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name[(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
SMILESCOc1cccc([C@@]23CCC[C@@H](C2)N(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC3)c1
InChIInChI=1S/C25H29NO2/c1-28-21-11-5-9-19(15-21)25-12-6-10-20(17-25)26(14-13-25)24(27)23-16-22(23)18-7-3-2-4-8-18/h2-5,7-9,11,15,20,22-23H,6,10,12-14,16-17H2,1H3/t20-,22+,23+,25+/m0/s1
InChIKeyXZCPVVCRBYKXQG-LVVCFHABSA-N
XLogP4.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone with MolForge

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Related Compounds

(1S,5R)-5-(3-methoxyphenyl)-2-[[(1R,2S)-2-phenylcyclopropyl]methyl]-2-azabicyclo[3.3.1]nonane
CID 51002783
(3S)-2-[(1S,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125153411
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124860048
(1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
CID 10106633
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651
(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane
CID 125485645
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
(3R,4R)-4-cyclopropyl-1-[2-(3-methoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120979232
3-[2-(2-methylpropyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
CID 11312642
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone?
The IUPAC name of [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone (CID 51002779) is [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone.
What is the SMILES notation for [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone?
The canonical SMILES for [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone is COc1cccc([C@@]23CCC[C@@H](C2)N(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC3)c1.
What is the InChIKey of [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone?
The InChIKey is XZCPVVCRBYKXQG-LVVCFHABSA-N. The full InChI is InChI=1S/C25H29NO2/c1-28-21-11-5-9-19(15-21)25-12-6-10-20(17-25)26(14-13-25)24(27)23-16-22(23)18-7-3-2-4-8-18/h2-5,7-9,11,15,20,22-23H,6,10,12-14,16-17H2,1H3/t20-,22+,23+,25+/m0/s1.
What are the key properties of [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone?
[(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone has a molecular weight of 375.51 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 51002779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).