[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone

C17H22N2O3 — CID 164699320

IUPAC[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone
SMILESCN1CCOC[C@H]1C(=O)N1CC2(COc3ccccc3C2)C1
InChIInChI=1S/C17H22N2O3/c1-18-6-7-21-9-14(18)16(20)19-10-17(11-19)8-13-4-2-3-5-15(13)22-12-17/h2-5,14H,6-12H2,1H3/t14-/m0/s1
InChIKeyJQPXVJXTMWFHBR-AWEZNQCLSA-N
MW302.37 g/mol
LogP0.78
Rot. Bonds1

About [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone

[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone (PubChem CID 164699320) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone.

Molecular Properties

Compound Name[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone
PubChem CID164699320
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone
SMILESCN1CCOC[C@H]1C(=O)N1CC2(COc3ccccc3C2)C1
InChIInChI=1S/C17H22N2O3/c1-18-6-7-21-9-14(18)16(20)19-10-17(11-19)8-13-4-2-3-5-15(13)22-12-17/h2-5,14H,6-12H2,1H3/t14-/m0/s1
InChIKeyJQPXVJXTMWFHBR-AWEZNQCLSA-N
XLogP0.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide
CID 44411902
2-amino-2-methyl-N-[(2R)-1-oxo-3-phenylmethoxy-1-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide;hydrochloride
CID 45264019
3,4-dihydro-2H-chromen-3-yl-(4-methylpiperidin-1-yl)methanone
CID 16029546
M1/M2/M4 muscarinic agonist 1
CID 156246132
M1/M2/M4 muscarinic agonist 2
CID 156246205
2-[3-[(2-Methoxyphenyl)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 53584710
4-(2-{3-[(4-Methylphenoxy)methyl]-1-piperidinyl}-2-oxoethyl)morpholine
CID 70777291
2-(dimethylamino)-N-[1'-(2-methoxyethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 118745573
M1/M4 muscarinic agonist 2
CID 169450433
M1/M4 muscarinic agonist 1
CID 169494113
[(7S)-7-[4-(2-methoxyphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-(oxetan-3-yl)methanone
CID 172443792
3,4-dihydro-2H-chromen-3-yl-(4-ethylpiperazin-1-yl)methanone
CID 22578092

Frequently Asked Questions

What is the IUPAC name of [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone?
The IUPAC name of [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone (CID 164699320) is [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone.
What is the SMILES notation for [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone?
The canonical SMILES for [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone is CN1CCOC[C@H]1C(=O)N1CC2(COc3ccccc3C2)C1.
What is the InChIKey of [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone?
The InChIKey is JQPXVJXTMWFHBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18-6-7-21-9-14(18)16(20)19-10-17(11-19)8-13-4-2-3-5-15(13)22-12-17/h2-5,14H,6-12H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone?
[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone has a molecular weight of 302.37 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone is sourced from PubChem (CID 164699320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).