2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide

C27H28N2O2 — CID 18230580

IUPAC2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C27H28N2O2/c1-28(18-21-10-4-6-12-24(21)29-15-7-2-8-16-29)26(30)17-22-19-31-25-14-13-20-9-3-5-11-23(20)27(22)25/h3-6,9-14,19H,2,7-8,15-18H2,1H3
InChIKeyQEEWFAULCHIBSA-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.78
Rot. Bonds5

About 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide

2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide (PubChem CID 18230580) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
PubChem CID18230580
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccccc1N1CCCCC1)C(=O)Cc1coc2ccc3ccccc3c12
InChIInChI=1S/C27H28N2O2/c1-28(18-21-10-4-6-12-24(21)29-15-7-2-8-16-29)26(30)17-22-19-31-25-14-13-20-9-3-5-11-23(20)27(22)25/h3-6,9-14,19H,2,7-8,15-18H2,1H3
InChIKeyQEEWFAULCHIBSA-UHFFFAOYSA-N
XLogP5.78
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide with MolForge

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Related Compounds

2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 56510653
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
2-benzo[e][1]benzofuran-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 9469786
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 18872572
2-benzo[e][1]benzofuran-1-yl-N-piperidin-1-ylacetamide
CID 9271571
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-naphthalen-2-ylacetamide
CID 18279690
2-benzo[e][1]benzofuran-1-yl-N-methoxy-N-methylacetamide
CID 18109883
2-benzo[e][1]benzofuran-1-yl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922400
2-benzo[e][1]benzofuran-1-yl-N,N-dipropylacetamide
CID 829751
2-benzo[e][1]benzofuran-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 4728264
N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(2-piperidin-1-ylphenyl)methyl]acetamide
CID 41023343
2-benzo[e][1]benzofuran-1-yl-1-(2,3-dihydroindol-1-yl)ethanone
CID 933045

Frequently Asked Questions

What is the IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide (CID 18230580) is 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide is CN(Cc1ccccc1N1CCCCC1)C(=O)Cc1coc2ccc3ccccc3c12.
What is the InChIKey of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?
The InChIKey is QEEWFAULCHIBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-28(18-21-10-4-6-12-24(21)29-15-7-2-8-16-29)26(30)17-22-19-31-25-14-13-20-9-3-5-11-23(20)27(22)25/h3-6,9-14,19H,2,7-8,15-18H2,1H3.
What are the key properties of 2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide?
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 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-methyl-N-[(2-piperidin-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 18230580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).