[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone

C21H24N2O2 — CID 134701126

IUPAC[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c(C)n1
InChIInChI=1S/C21H24N2O2/c1-14-8-11-18(15(2)22-14)21(24)23-12-19(16-6-4-3-5-7-16)25-20(13-23)17-9-10-17/h3-8,11,17,19-20H,9-10,12-13H2,1-2H3/t19-,20+/m0/s1
InChIKeyPCXCLMPIGDAXDQ-VQTJNVASSA-N
MW336.44 g/mol
LogP3.69
Rot. Bonds3

About [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone (PubChem CID 134701126) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone
PubChem CID134701126
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c(C)n1
InChIInChI=1S/C21H24N2O2/c1-14-8-11-18(15(2)22-14)21(24)23-12-19(16-6-4-3-5-7-16)25-20(13-23)17-9-10-17/h3-8,11,17,19-20H,9-10,12-13H2,1-2H3/t19-,20+/m0/s1
InChIKeyPCXCLMPIGDAXDQ-VQTJNVASSA-N
XLogP3.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(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]-(3-methyl-2-pyridinyl)methanone
CID 134700307
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 134703515
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-cyclopropylpyrimidin-5-yl)methanone
CID 134714028
3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134703735
1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 134706455
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2-methoxy-4-pyridinyl)methanone
CID 155505273
4-[(2S,6R)-2-cyclopropyl-6-phenylmorpholine-4-carbonyl]-2-methylphthalazin-1-one
CID 155507753
(3S,4S)-1-(2,6-dimethylpyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 98537065
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 134707536
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2,6-dimethyl-3-pyridinyl)methanone;dihydrochloride
CID 120656572
N-[3-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 134701533

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone?
The IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone (CID 134701126) is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c(C)n1.
What is the InChIKey of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone?
The InChIKey is PCXCLMPIGDAXDQ-VQTJNVASSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-8-11-18(15(2)22-14)21(24)23-12-19(16-6-4-3-5-7-16)25-20(13-23)17-9-10-17/h3-8,11,17,19-20H,9-10,12-13H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone?
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 336.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(2,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 134701126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).