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[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone

C21H27N3O2 — CID 124971623

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)C3(c4ccccc4)CCCC3)CCO2)n1
InChIInChI=1S/C21H27N3O2/c1-16-14-23(2)19(22-16)18-15-24(12-13-26-18)20(25)21(10-6-7-11-21)17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3/t18-/m0/s1
InChIKeyJXVSNRBYGVTQGL-SFHVURJKSA-N
MW353.47 g/mol
LogP3.14
Rot. Bonds3

About [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone

[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone (PubChem CID 124971623) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
PubChem CID124971623
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
SMILESCc1cn(C)c([C@@H]2CN(C(=O)C3(c4ccccc4)CCCC3)CCO2)n1
InChIInChI=1S/C21H27N3O2/c1-16-14-23(2)19(22-16)18-15-24(12-13-26-18)20(25)21(10-6-7-11-21)17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3/t18-/m0/s1
InChIKeyJXVSNRBYGVTQGL-SFHVURJKSA-N
XLogP3.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone?
The IUPAC name of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone (CID 124971623) is [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone.
What is the SMILES notation for [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone?
The canonical SMILES for [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone is Cc1cn(C)c([C@@H]2CN(C(=O)C3(c4ccccc4)CCCC3)CCO2)n1.
What is the InChIKey of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone?
The InChIKey is JXVSNRBYGVTQGL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-14-23(2)19(22-16)18-15-24(12-13-26-18)20(25)21(10-6-7-11-21)17-8-4-3-5-9-17/h3-5,8-9,14,18H,6-7,10-13,15H2,1-2H3/t18-/m0/s1.
What are the key properties of [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone?
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone has a molecular weight of 353.47 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone is sourced from PubChem (CID 124971623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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