1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone

C15H25N3O2 — CID 124890717

IUPAC1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCCn1ccnc1[C@H]1CCCCN1C(=O)COC(C)C
InChIInChI=1S/C15H25N3O2/c1-4-17-10-8-16-15(17)13-7-5-6-9-18(13)14(19)11-20-12(2)3/h8,10,12-13H,4-7,9,11H2,1-3H3/t13-/m1/s1
InChIKeyZMTYUJPLRBYVIJ-CYBMUJFWSA-N
MW279.38 g/mol
LogP2.38
Rot. Bonds5

About 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone

1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone (PubChem CID 124890717) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
PubChem CID124890717
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
SMILESCCn1ccnc1[C@H]1CCCCN1C(=O)COC(C)C
InChIInChI=1S/C15H25N3O2/c1-4-17-10-8-16-15(17)13-7-5-6-9-18(13)14(19)11-20-12(2)3/h8,10,12-13H,4-7,9,11H2,1-3H3/t13-/m1/s1
InChIKeyZMTYUJPLRBYVIJ-CYBMUJFWSA-N
XLogP2.38
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone (CID 124890717) is 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone is CCn1ccnc1[C@H]1CCCCN1C(=O)COC(C)C.
What is the InChIKey of 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
The InChIKey is ZMTYUJPLRBYVIJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-17-10-8-16-15(17)13-7-5-6-9-18(13)14(19)11-20-12(2)3/h8,10,12-13H,4-7,9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone?
1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone has a molecular weight of 279.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 124890717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).