[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone

C20H22N2O3 — CID 155505273

IUPAC[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)ccn1
InChIInChI=1S/C20H22N2O3/c1-24-19-11-16(9-10-21-19)20(23)22-12-17(14-5-3-2-4-6-14)25-18(13-22)15-7-8-15/h2-6,9-11,15,17-18H,7-8,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyHNTJELPUBOTPEI-ZWKOTPCHSA-N
MW338.41 g/mol
LogP3.08
Rot. Bonds4

About [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone (PubChem CID 155505273) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
PubChem CID155505273
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)ccn1
InChIInChI=1S/C20H22N2O3/c1-24-19-11-16(9-10-21-19)20(23)22-12-17(14-5-3-2-4-6-14)25-18(13-22)15-7-8-15/h2-6,9-11,15,17-18H,7-8,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyHNTJELPUBOTPEI-ZWKOTPCHSA-N
XLogP3.08
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
CID 134714028
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(3-methyl-2-pyridinyl)methanone
CID 134700307
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 134700601
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 134703515
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121192069
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone
CID 134701126
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 134707536
3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134703735
[2-(cyclopropylamino)-4-pyridinyl]-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 94820867
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one
CID 155507753
2-(2-methyl-6-phenylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055413

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone (CID 155505273) is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)ccn1.
What is the InChIKey of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is HNTJELPUBOTPEI-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-19-11-16(9-10-21-19)20(23)22-12-17(14-5-3-2-4-6-14)25-18(13-22)15-7-8-15/h2-6,9-11,15,17-18H,7-8,12-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone?
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 338.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 155505273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).