[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone

C18H21N3O2 — CID 134703515

IUPAC[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C18H21N3O2/c1-12-17(20-11-19-12)18(22)21-9-15(13-5-3-2-4-6-13)23-16(10-21)14-7-8-14/h2-6,11,14-16H,7-10H2,1H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyGGFZQMKIGKWJEY-JKSUJKDBSA-N
MW311.38 g/mol
LogP2.71
Rot. Bonds3

About [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone

[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone (PubChem CID 134703515) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
PubChem CID134703515
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]cnc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1
InChIInChI=1S/C18H21N3O2/c1-12-17(20-11-19-12)18(22)21-9-15(13-5-3-2-4-6-13)23-16(10-21)14-7-8-14/h2-6,11,14-16H,7-10H2,1H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyGGFZQMKIGKWJEY-JKSUJKDBSA-N
XLogP2.71
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The IUPAC name of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone (CID 134703515) is [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone.
What is the SMILES notation for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The canonical SMILES for [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone is Cc1[nH]cnc1C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1.
What is the InChIKey of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
The InChIKey is GGFZQMKIGKWJEY-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-17(20-11-19-12)18(22)21-9-15(13-5-3-2-4-6-13)23-16(10-21)14-7-8-14/h2-6,11,14-16H,7-10H2,1H3,(H,19,20)/t15-,16+/m0/s1.
What are the key properties of [(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone?
[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 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]-(5-methyl-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 134703515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).