[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone

C24H27FN2O2 — CID 134696016

IUPAC[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)cc2cc(F)ccc21
InChIInChI=1S/C24H27FN2O2/c1-24(2,3)22-15-27(14-21(29-22)16-8-6-5-7-9-16)23(28)20-13-17-12-18(25)10-11-19(17)26(20)4/h5-13,21-22H,14-15H2,1-4H3/t21-,22+/m0/s1
InChIKeyQVHXWTRNSXQYHC-FCHUYYIVSA-N
MW394.49 g/mol
LogP4.95
Rot. Bonds2

About [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone

[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone (PubChem CID 134696016) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone
PubChem CID134696016
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)cc2cc(F)ccc21
InChIInChI=1S/C24H27FN2O2/c1-24(2,3)22-15-27(14-21(29-22)16-8-6-5-7-9-16)23(28)20-13-17-12-18(25)10-11-19(17)26(20)4/h5-13,21-22H,14-15H2,1-4H3/t21-,22+/m0/s1
InChIKeyQVHXWTRNSXQYHC-FCHUYYIVSA-N
XLogP4.95
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-pyridin-2-ylmethanone
CID 134706148
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-cyclopropyl-1-methylpyrazol-3-yl)methanone
CID 155494284
3-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 155494033
5-[(2S,6R)-2-tert-butyl-6-phenylmorpholine-4-carbonyl]-1H-pyrazin-2-one
CID 134711873
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 134709398
(6-amino-3-pyridinyl)-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 134710424
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157016398
N-[(3S,3aR,7aS)-5-(5-fluoro-1-methylindole-2-carbonyl)-2-methyl-3-phenyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]acetamide
CID 110137690
(2S)-4-(5-fluoro-1-methylindole-2-carbonyl)-N,1-dimethylpiperazine-2-carboxamide
CID 125017209
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 155500879
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-quinoxalin-5-ylmethanone
CID 157018261
(2S)-1-acetyl-4-(5-fluoro-1-methylindole-2-carbonyl)piperazine-2-carboxamide
CID 125008346

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone?
The IUPAC name of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone (CID 134696016) is [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone.
What is the SMILES notation for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone?
The canonical SMILES for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone is Cn1c(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)(C)C)C2)cc2cc(F)ccc21.
What is the InChIKey of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone?
The InChIKey is QVHXWTRNSXQYHC-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-24(2,3)22-15-27(14-21(29-22)16-8-6-5-7-9-16)23(28)20-13-17-12-18(25)10-11-19(17)26(20)4/h5-13,21-22H,14-15H2,1-4H3/t21-,22+/m0/s1.
What are the key properties of [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone?
[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone has a molecular weight of 394.49 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]-(5-fluoro-1-methylindol-2-yl)methanone is sourced from PubChem (CID 134696016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).