1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone

C18H19N3O2 — CID 95335476

IUPAC1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C18H19N3O2/c1-13-19-8-10-21(13)15-6-4-9-20(12-15)18(22)17-11-14-5-2-3-7-16(14)23-17/h2-3,5,7-8,10-11,15H,4,6,9,12H2,1H3/t15-/m0/s1
InChIKeyKJZIROWBZBNRSQ-HNNXBMFYSA-N
MW309.37 g/mol
LogP3.42
Rot. Bonds2

About 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone

1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95335476) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID95335476
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1
InChIInChI=1S/C18H19N3O2/c1-13-19-8-10-21(13)15-6-4-9-20(12-15)18(22)17-11-14-5-2-3-7-16(14)23-17/h2-3,5,7-8,10-11,15H,4,6,9,12H2,1H3/t15-/m0/s1
InChIKeyKJZIROWBZBNRSQ-HNNXBMFYSA-N
XLogP3.42
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854
imidazo[1,2-a]pyridin-2-yl-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95342530
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326513
methyl (3S)-1-(1-benzofuran-2-carbonyl)piperidine-3-carboxylate
CID 78919420
2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 95327827
3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95323599
1,6-dimethyl-3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 95606434
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95326507

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone (CID 95335476) is 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone is Cc1nccn1[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1.
What is the InChIKey of 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is KJZIROWBZBNRSQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-19-8-10-21(13)15-6-4-9-20(12-15)18(22)17-11-14-5-2-3-7-16(14)23-17/h2-3,5,7-8,10-11,15H,4,6,9,12H2,1H3/t15-/m0/s1.
What are the key properties of 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 309.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95335476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).