[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C22H25N3O2 — CID 96578463

IUPAC[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)c(C)o1
InChIInChI=1S/C22H25N3O2/c1-16-13-20(17(2)27-16)22(26)25-11-6-9-19(15-25)21-23-10-12-24(21)14-18-7-4-3-5-8-18/h3-5,7-8,10,12-13,19H,6,9,11,14-15H2,1-2H3/t19-/m1/s1
InChIKeyNLFZHEQOAPEGIB-LJQANCHMSA-N
MW363.46 g/mol
LogP4.16
Rot. Bonds4

About [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 96578463) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID96578463
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)c(C)o1
InChIInChI=1S/C22H25N3O2/c1-16-13-20(17(2)27-16)22(26)25-11-6-9-19(15-25)21-23-10-12-24(21)14-18-7-4-3-5-8-18/h3-5,7-8,10,12-13,19H,6,9,11,14-15H2,1-2H3/t19-/m1/s1
InChIKeyNLFZHEQOAPEGIB-LJQANCHMSA-N
XLogP4.16
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 70767461
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 96571760
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 96572365
[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 70750234
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 96577048
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281406
5-[(3R)-3-(1-benzylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 96579681
(4-methyl-3-pyridinyl)-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97199720
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97284377
3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
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 [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 96578463) is [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)c(C)o1.
What is the InChIKey of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is NLFZHEQOAPEGIB-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-13-20(17(2)27-16)22(26)25-11-6-9-19(15-25)21-23-10-12-24(21)14-18-7-4-3-5-8-18/h3-5,7-8,10,12-13,19H,6,9,11,14-15H2,1-2H3/t19-/m1/s1.
What are the key properties of [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 96578463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).