(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane

C22H28N2O — CID 165427222

IUPAC(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1ccc(-c3ccccn3)cc1)C2
InChIInChI=1S/C22H28N2O/c1-25-21-7-4-12-22(21)13-5-15-24(17-22)16-18-8-10-19(11-9-18)20-6-2-3-14-23-20/h2-3,6,8-11,14,21H,4-5,7,12-13,15-17H2,1H3/t21-,22-/m1/s1
InChIKeyRLIWWBDXEGORAT-FGZHOGPDSA-N
MW336.48 g/mol
LogP4.53
Rot. Bonds4

About (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane

(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane (PubChem CID 165427222) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
PubChem CID165427222
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
SMILESCO[C@@H]1CCC[C@]12CCCN(Cc1ccc(-c3ccccn3)cc1)C2
InChIInChI=1S/C22H28N2O/c1-25-21-7-4-12-22(21)13-5-15-24(17-22)16-18-8-10-19(11-9-18)20-6-2-3-14-23-20/h2-3,6,8-11,14,21H,4-5,7,12-13,15-17H2,1H3/t21-,22-/m1/s1
InChIKeyRLIWWBDXEGORAT-FGZHOGPDSA-N
XLogP4.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R)-4-methoxy-7-[[4-(3-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decane
CID 166619064
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233
5-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 135100692
(4R,5R)-4-methoxy-7-pyridin-2-yl-7-azaspiro[4.5]decane
CID 135090113
4-[3-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]propyl]morpholine
CID 135096793
[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 164689714
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
CID 165421706
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
(4R,5R)-7-[(2-chloro-4-methylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105810

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane (CID 165427222) is (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane is CO[C@@H]1CCC[C@]12CCCN(Cc1ccc(-c3ccccn3)cc1)C2.
What is the InChIKey of (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane?
The InChIKey is RLIWWBDXEGORAT-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H28N2O/c1-25-21-7-4-12-22(21)13-5-15-24(17-22)16-18-8-10-19(11-9-18)20-6-2-3-14-23-20/h2-3,6,8-11,14,21H,4-5,7,12-13,15-17H2,1H3/t21-,22-/m1/s1.
What are the key properties of (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane?
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane has a molecular weight of 336.48 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane is sourced from PubChem (CID 165427222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).