[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

C18H19N3O2 — CID 95345476

IUPAC[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)oc2ccccc12
InChIInChI=1S/C18H19N3O2/c1-13-15-6-2-3-7-16(15)23-17(13)18(22)20-9-4-5-14(11-20)21-10-8-19-12-21/h2-3,6-8,10,12,14H,4-5,9,11H2,1H3/t14-/m0/s1
InChIKeyVWDNSMFZEOFLCE-AWEZNQCLSA-N
MW309.37 g/mol
LogP3.42
Rot. Bonds2

About [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 95345476) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID95345476
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)oc2ccccc12
InChIInChI=1S/C18H19N3O2/c1-13-15-6-2-3-7-16(15)23-17(13)18(22)20-9-4-5-14(11-20)21-10-8-19-12-21/h2-3,6-8,10,12,14H,4-5,9,11H2,1H3/t14-/m0/s1
InChIKeyVWDNSMFZEOFLCE-AWEZNQCLSA-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

(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 95340989
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124970480
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
3-[(3R)-3-imidazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95569131
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 95340385
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312877
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(6-methylthieno[3,2-b]thiophen-5-yl)methanone
CID 95312825
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 16676076

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 95345476) is [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)oc2ccccc12.
What is the InChIKey of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is VWDNSMFZEOFLCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-15-6-2-3-7-16(15)23-17(13)18(22)20-9-4-5-14(11-20)21-10-8-19-12-21/h2-3,6-8,10,12,14H,4-5,9,11H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-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 [(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 95345476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).