2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone

C19H23N3O2 — CID 95332362

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C19H23N3O2/c1-14-20-7-9-22(14)17-3-2-8-21(13-17)19(23)12-15-4-5-18-16(11-15)6-10-24-18/h4-5,7,9,11,17H,2-3,6,8,10,12-13H2,1H3/t17-/m0/s1
InChIKeyZEGSLXZUIPXDFV-KRWDZBQOSA-N
MW325.41 g/mol
LogP2.53
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 95332362) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
PubChem CID95332362
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C19H23N3O2/c1-14-20-7-9-22(14)17-3-2-8-21(13-17)19(23)12-15-4-5-18-16(11-15)6-10-24-18/h4-5,7,9,11,17H,2-3,6,8,10,12-13H2,1H3/t17-/m0/s1
InChIKeyZEGSLXZUIPXDFV-KRWDZBQOSA-N
XLogP2.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95158590
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95340408
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95338418
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806404
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95606393
2-cyclopent-2-en-1-yl-1-[3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 56779676
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124
2-cyclopentyloxy-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95329474
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid
CID 119247939
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 56810760

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone (CID 95332362) is 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone is Cc1nccn1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is ZEGSLXZUIPXDFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-20-7-9-22(14)17-3-2-8-21(13-17)19(23)12-15-4-5-18-16(11-15)6-10-24-18/h4-5,7,9,11,17H,2-3,6,8,10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone?
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95332362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).