(3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C22H28FN3O — CID 97371444

IUPAC(3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccncc1)[C@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H28FN3O/c1-25(15-19-6-10-24-11-7-19)21-14-22(27-17-21)8-12-26(13-9-22)16-18-2-4-20(23)5-3-18/h2-7,10-11,21H,8-9,12-17H2,1H3/t21-/m1/s1
InChIKeyUSMMEIKCFYMOMW-OAQYLSRUSA-N
MW369.48 g/mol
LogP3.48
Rot. Bonds5

About (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

(3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97371444) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97371444
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name(3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccncc1)[C@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C22H28FN3O/c1-25(15-19-6-10-24-11-7-19)21-14-22(27-17-21)8-12-26(13-9-22)16-18-2-4-20(23)5-3-18/h2-7,10-11,21H,8-9,12-17H2,1H3/t21-/m1/s1
InChIKeyUSMMEIKCFYMOMW-OAQYLSRUSA-N
XLogP3.48
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine with MolForge

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Related Compounds

(3R)-8-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371282
8-(cyclopropylmethyl)-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131646294
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371380
8-(furan-3-ylmethyl)-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155852173
7-[(4-fluorophenyl)methyl]-N-methyl-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131646650
(3S)-N-methyl-N-(pyridin-3-ylmethyl)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371337
N-methyl-N,8-bis(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 171697216
(3R,5R)-9-[(4-fluorophenyl)methyl]-N-methyl-N-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 97371888
8-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131639696
(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450673
(3S)-N-benzyl-8-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97487801
3-[[(3S)-3-[methyl(pyridin-3-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 97487706

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97371444) is (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(Cc1ccncc1)[C@H]1COC2(CCN(Cc3ccc(F)cc3)CC2)C1.
What is the InChIKey of (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is USMMEIKCFYMOMW-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-25(15-19-6-10-24-11-7-19)21-14-22(27-17-21)8-12-26(13-9-22)16-18-2-4-20(23)5-3-18/h2-7,10-11,21H,8-9,12-17H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 369.48 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-[(4-fluorophenyl)methyl]-N-methyl-N-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97371444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).