2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C19H21N3O2 — CID 124964719

IUPAC2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1ccc2c(CC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)coc2c1
InChIInChI=1S/C19H21N3O2/c1-13-4-5-16-15(12-24-18(16)9-13)10-19(23)22-8-2-3-14(11-22)17-6-7-20-21-17/h4-7,9,12,14H,2-3,8,10-11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyHZMQVCBLBHVKSZ-CQSZACIVSA-N
MW323.40 g/mol
LogP3.41
Rot. Bonds3

About 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 124964719) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID124964719
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1ccc2c(CC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)coc2c1
InChIInChI=1S/C19H21N3O2/c1-13-4-5-16-15(12-24-18(16)9-13)10-19(23)22-8-2-3-14(11-22)17-6-7-20-21-17/h4-7,9,12,14H,2-3,8,10-11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyHZMQVCBLBHVKSZ-CQSZACIVSA-N
XLogP3.41
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95768590
2-(6-methyl-1-benzofuran-3-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 155983415
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
1-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239499
2-(6-methyl-1-benzofuran-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 18872264
7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one
CID 41180165
3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110259223
2-(6-methyl-1-benzofuran-3-yl)-N-(1H-pyrazol-5-yl)acetamide
CID 61393726
3-[5-(4-methylphenyl)furan-2-yl]-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 126433190
2-(6-methyl-1-benzofuran-3-yl)-1-[(3S)-3-[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92560326

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 124964719) is 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is Cc1ccc2c(CC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)coc2c1.
What is the InChIKey of 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is HZMQVCBLBHVKSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-4-5-16-15(12-24-18(16)9-13)10-19(23)22-8-2-3-14(11-22)17-6-7-20-21-17/h4-7,9,12,14H,2-3,8,10-11H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 323.40 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124964719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).