2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide

C29H32N2O2 — CID 11858258

IUPAC2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCCN(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C29H32N2O2/c30-28(32)29(24-8-3-1-4-9-24,25-10-5-2-6-11-25)26-12-7-17-31(21-26)18-15-22-13-14-27-23(20-22)16-19-33-27/h1-6,8-11,13-14,20,26H,7,12,15-19,21H2,(H2,30,32)
InChIKeyLNGBIKCCEMPBEN-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.35
Rot. Bonds7

About 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide

2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide (PubChem CID 11858258) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound Name2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide
PubChem CID11858258
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCCN(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C29H32N2O2/c30-28(32)29(24-8-3-1-4-9-24,25-10-5-2-6-11-25)26-12-7-17-31(21-26)18-15-22-13-14-27-23(20-22)16-19-33-27/h1-6,8-11,13-14,20,26H,7,12,15-19,21H2,(H2,30,32)
InChIKeyLNGBIKCCEMPBEN-UHFFFAOYSA-N
XLogP4.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Darifenacin
CID 444031
Darifenacin Hydrobromide
CID 444030
5-Methyl-5-(4-phenoxypiperidin-1-yl)-2,2-diphenylhexanamide
CID 16065268
4-Piperidinecarboxamide, 1-(4-(2-(2-phenylethyl)phenoxy)butyl)-
CID 3055325
2-[(3R)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-piperidyl]-2,2-diphenyl-acetamide
CID 16076226
cis-(1S,2R)-2-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-prop-2-enyl-N-propylcyclopropane-1-carboxamide
CID 44449341
cis-(1S,2R)-2-(aminomethyl)-N-but-2-ynyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclopropane-1-carboxamide
CID 44449652
cis-(1S,2R)-2-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-bis(prop-2-ynyl)cyclopropane-1-carboxamide
CID 44449656
cis-(1S,2R)-2-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-prop-2-enyl-N-prop-2-ynylcyclopropane-1-carboxamide
CID 44449729
(+-)-Darifenacin
CID 72054
cis-(1S,2R)-2-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide
CID 44449307
cis-(1S,2R)-2-(aminomethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 44449340

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide?
The IUPAC name of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide (CID 11858258) is 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide is NC(=O)C(c1ccccc1)(c1ccccc1)C1CCCN(CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide?
The InChIKey is LNGBIKCCEMPBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c30-28(32)29(24-8-3-1-4-9-24,25-10-5-2-6-11-25)26-12-7-17-31(21-26)18-15-22-13-14-27-23(20-22)16-19-33-27/h1-6,8-11,13-14,20,26H,7,12,15-19,21H2,(H2,30,32).
What are the key properties of 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide?
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide has a molecular weight of 440.59 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 11858258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).