1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone

C18H30N4O2 — CID 71694281

IUPAC1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCOC[C@H]2c2ncc(C(C)(C)C)[nH]2)CC1
InChIInChI=1S/C18H30N4O2/c1-13(23)21-7-5-14(6-8-21)22-9-10-24-12-15(22)17-19-11-16(20-17)18(2,3)4/h11,14-15H,5-10,12H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyVFTOARQPQJUBQA-HNNXBMFYSA-N
MW334.46 g/mol
LogP2.09
Rot. Bonds2

About 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone

1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone (PubChem CID 71694281) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone
PubChem CID71694281
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCOC[C@H]2c2ncc(C(C)(C)C)[nH]2)CC1
InChIInChI=1S/C18H30N4O2/c1-13(23)21-7-5-14(6-8-21)22-9-10-24-12-15(22)17-19-11-16(20-17)18(2,3)4/h11,14-15H,5-10,12H2,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyVFTOARQPQJUBQA-HNNXBMFYSA-N
XLogP2.09
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone (CID 71694281) is 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCOC[C@H]2c2ncc(C(C)(C)C)[nH]2)CC1.
What is the InChIKey of 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is VFTOARQPQJUBQA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(23)21-7-5-14(6-8-21)22-9-10-24-12-15(22)17-19-11-16(20-17)18(2,3)4/h11,14-15H,5-10,12H2,1-4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone?
1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 334.46 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71694281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).