2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide

C19H18N2O3 — CID 95272377

IUPAC2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)N[C@@H]1CCCNC1=O
InChIInChI=1S/C19H18N2O3/c22-17(21-15-6-3-9-20-19(15)23)10-13-11-24-16-8-7-12-4-1-2-5-14(12)18(13)16/h1-2,4-5,7-8,11,15H,3,6,9-10H2,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyOMZAOFGTTUTUAC-OAHLLOKOSA-N
MW322.36 g/mol
LogP2.52
Rot. Bonds3

About 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide (PubChem CID 95272377) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide
PubChem CID95272377
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide
SMILESO=C(Cc1coc2ccc3ccccc3c12)N[C@@H]1CCCNC1=O
InChIInChI=1S/C19H18N2O3/c22-17(21-15-6-3-9-20-19(15)23)10-13-11-24-16-8-7-12-4-1-2-5-14(12)18(13)16/h1-2,4-5,7-8,11,15H,3,6,9-10H2,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyOMZAOFGTTUTUAC-OAHLLOKOSA-N
XLogP2.52
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11919788
2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7964651
N-[(3S)-2-oxoazepan-3-yl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 99950380
2-benzo[e][1]benzofuran-1-yl-N'-[2-(2-oxo-1-pyridinyl)acetyl]acetohydrazide
CID 9077912
2-benzo[e][1]benzofuran-1-yl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 8531335
2-benzo[e][1]benzofuran-1-yl-N-(2-chlorophenyl)acetamide
CID 829773
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525572
1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 129398656
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
2-benzo[e][1]benzofuran-1-yl-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 9480740
benzo[e][1]benzofuran-1-ylmethanol
CID 13405240

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide (CID 95272377) is 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide is O=C(Cc1coc2ccc3ccccc3c12)N[C@@H]1CCCNC1=O.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide?
The InChIKey is OMZAOFGTTUTUAC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-17(21-15-6-3-9-20-19(15)23)10-13-11-24-16-8-7-12-4-1-2-5-14(12)18(13)16/h1-2,4-5,7-8,11,15H,3,6,9-10H2,(H,20,23)(H,21,22)/t15-/m1/s1.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[e][1]benzofuran-1-yl-N-[(3R)-2-oxopiperidin-3-yl]acetamide is sourced from PubChem (CID 95272377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).