(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

C19H21N3O2 — CID 124970480

IUPAC(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)[nH]1
InChIInChI=1S/C19H21N3O2/c1-12-10-20-18(21-12)14-6-5-9-22(11-14)19(23)17-13(2)15-7-3-4-8-16(15)24-17/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyJQIUARBLKQEYAD-CQSZACIVSA-N
MW323.40 g/mol
LogP3.79
Rot. Bonds2

About (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 124970480) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID124970480
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)[nH]1
InChIInChI=1S/C19H21N3O2/c1-12-10-20-18(21-12)14-6-5-9-22(11-14)19(23)17-13(2)15-7-3-4-8-16(15)24-17/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyJQIUARBLKQEYAD-CQSZACIVSA-N
XLogP3.79
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617
4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124994289
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 124942397
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012156
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012155
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 9291499
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
[3-(methylaminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119398830
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124989932

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 124970480) is (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is Cc1cnc([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)[nH]1.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is JQIUARBLKQEYAD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-10-20-18(21-12)14-6-5-9-22(11-14)19(23)17-13(2)15-7-3-4-8-16(15)24-17/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 323.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124970480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).