[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone

C22H25FN2O3 — CID 56896820

IUPAC[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)o1
InChIInChI=1S/C22H25FN2O3/c1-27-13-17-6-7-19(28-17)22(26)25-12-18(14-2-4-16(23)5-3-14)21-20(25)15-8-10-24(21)11-9-15/h2-7,15,18,20-21H,8-13H2,1H3/t18-,20+,21+/m0/s1
InChIKeyQJVIXMOVRAQZQF-CEWLAPEOSA-N
MW384.45 g/mol
LogP3.27
Rot. Bonds4

About [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone

[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone (PubChem CID 56896820) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
PubChem CID56896820
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone
SMILESCOCc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)o1
InChIInChI=1S/C22H25FN2O3/c1-27-13-17-6-7-19(28-17)22(26)25-12-18(14-2-4-16(23)5-3-14)21-20(25)15-8-10-24(21)11-9-15/h2-7,15,18,20-21H,8-13H2,1H3/t18-,20+,21+/m0/s1
InChIKeyQJVIXMOVRAQZQF-CEWLAPEOSA-N
XLogP3.27
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone with MolForge

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Related Compounds

[5-(methoxymethyl)furan-2-yl]-[(2R,3R,6R)-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 56861335
[2-(4-fluorophenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78840753
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(2S,3S,6S)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 133124247
(2S,3S,6S)-3-(4-fluorophenyl)-N,N-dimethyl-1,5-diazatricyclo[5.2.2.02,6]undecane-5-carboxamide
CID 133119621
propyl (2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecane-5-carboxylate
CID 56889450
[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-pyridin-4-ylmethanone
CID 72843563
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 95564079
N-[3-[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-3-oxopropyl]acetamide
CID 72899930
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 24817677
N-[(4-fluorophenyl)methyl]-1-[5-(methoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 78902093
1,3-benzodioxol-5-yl-[(2S,3S,6S)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 133111092
[(2R,3R,6R)-3-(2,3-difluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-(5-methoxyfuran-2-yl)methanone
CID 72863014

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The IUPAC name of [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone (CID 56896820) is [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone is COCc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)o1.
What is the InChIKey of [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
The InChIKey is QJVIXMOVRAQZQF-CEWLAPEOSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-27-13-17-6-7-19(28-17)22(26)25-12-18(14-2-4-16(23)5-3-14)21-20(25)15-8-10-24(21)11-9-15/h2-7,15,18,20-21H,8-13H2,1H3/t18-,20+,21+/m0/s1.
What are the key properties of [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone?
[(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone has a molecular weight of 384.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,6R)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]-[5-(methoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 56896820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).