1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one

C15H23N3O2 — CID 95569090

IUPAC1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
SMILESO=C(CC[C@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C15H23N3O2/c19-15(6-5-14-4-2-10-20-14)17-8-1-3-13(11-17)18-9-7-16-12-18/h7,9,12-14H,1-6,8,10-11H2/t13-,14-/m1/s1
InChIKeyDXEHACUYRMJYQA-ZIAGYGMSSA-N
MW277.37 g/mol
LogP2.01
Rot. Bonds4

About 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one

1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one (PubChem CID 95569090) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
PubChem CID95569090
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
SMILESO=C(CC[C@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C15H23N3O2/c19-15(6-5-14-4-2-10-20-14)17-8-1-3-13(11-17)18-9-7-16-12-18/h7,9,12-14H,1-6,8,10-11H2/t13-,14-/m1/s1
InChIKeyDXEHACUYRMJYQA-ZIAGYGMSSA-N
XLogP2.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one with MolForge

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Related Compounds

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95569091
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95338418
3-[(2S)-oxolan-2-yl]-1-[(3R)-3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95352561
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95314199
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 79031161
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 95327283
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62357278
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95569054
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 95341948
2-[(1R)-cyclopent-2-en-1-yl]-1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95349938

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one (CID 95569090) is 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one is O=C(CC[C@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
The InChIKey is DXEHACUYRMJYQA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15(6-5-14-4-2-10-20-14)17-8-1-3-13(11-17)18-9-7-16-12-18/h7,9,12-14H,1-6,8,10-11H2/t13-,14-/m1/s1.
What are the key properties of 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one?
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one has a molecular weight of 277.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one is sourced from PubChem (CID 95569090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).