[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone

C19H22N2O3 — CID 95277197

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3)nc2)C[C@H](C)O1
InChIInChI=1S/C19H22N2O3/c1-14-11-21(12-15(2)24-14)19(22)17-8-9-18(20-10-17)23-13-16-6-4-3-5-7-16/h3-10,14-15H,11-13H2,1-2H3/t14-,15+
InChIKeyRBEADGCBHMCKIC-GASCZTMLSA-N
MW326.40 g/mol
LogP2.91
Rot. Bonds4

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone (PubChem CID 95277197) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
PubChem CID95277197
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone
SMILESC[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3)nc2)C[C@H](C)O1
InChIInChI=1S/C19H22N2O3/c1-14-11-21(12-15(2)24-14)19(22)17-8-9-18(20-10-17)23-13-16-6-4-3-5-7-16/h3-10,14-15H,11-13H2,1-2H3/t14-,15+
InChIKeyRBEADGCBHMCKIC-GASCZTMLSA-N
XLogP2.91
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(6-methoxy-3-pyridinyl)methanone
CID 27661534
(2,6-dimethylmorpholin-4-yl)-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 90574055
1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533820
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 41292535
(6R)-6-methyl-4-(2-phenylmethoxypyridine-4-carbonyl)morpholine-2-carboxylic acid
CID 120536224
3-methyl-1-(6-phenylmethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529089
[6-(4-bromophenoxy)-3-pyridinyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 166191127
2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469980
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 104960451
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone (CID 95277197) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone is C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3)nc2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone?
The InChIKey is RBEADGCBHMCKIC-GASCZTMLSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-11-21(12-15(2)24-14)19(22)17-8-9-18(20-10-17)23-13-16-6-4-3-5-7-16/h3-10,14-15H,11-13H2,1-2H3/t14-,15+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(6-phenylmethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 95277197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).