2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone

C23H32N4O2 — CID 97279082

IUPAC2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCCn1ccnc1C1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1
InChIInChI=1S/C23H32N4O2/c1-2-26-13-10-24-23(26)20-8-11-27(12-9-20)22(28)16-21-18-25(14-15-29-21)17-19-6-4-3-5-7-19/h3-7,10,13,20-21H,2,8-9,11-12,14-18H2,1H3/t21-/m1/s1
InChIKeyNZIRAEYOOSWPOG-OAQYLSRUSA-N
MW396.54 g/mol
LogP2.90
Rot. Bonds6

About 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone

2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 97279082) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID97279082
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCCn1ccnc1C1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1
InChIInChI=1S/C23H32N4O2/c1-2-26-13-10-24-23(26)20-8-11-27(12-9-20)22(28)16-21-18-25(14-15-29-21)17-19-6-4-3-5-7-19/h3-7,10,13,20-21H,2,8-9,11-12,14-18H2,1H3/t21-/m1/s1
InChIKeyNZIRAEYOOSWPOG-OAQYLSRUSA-N
XLogP2.90
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-benzylmorpholin-2-yl)ethanone
CID 120817105
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119
3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70712835
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
1-benzyl-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]piperidin-3-amine
CID 128998209
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-4-yl)methanone
CID 72935518
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579022

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone (CID 97279082) is 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone is CCn1ccnc1C1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1.
What is the InChIKey of 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is NZIRAEYOOSWPOG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-2-26-13-10-24-23(26)20-8-11-27(12-9-20)22(28)16-21-18-25(14-15-29-21)17-19-6-4-3-5-7-19/h3-7,10,13,20-21H,2,8-9,11-12,14-18H2,1H3/t21-/m1/s1.
What are the key properties of 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone?
2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 396.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-benzylmorpholin-2-yl]-1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97279082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).