N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

C23H34N2O3 — CID 67794502

IUPACN-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCOC1CN(CCC2CCCCC2)CCC1NC(=O)c1cccc2c1OCC2
InChIInChI=1S/C23H34N2O3/c1-27-21-16-25(13-10-17-6-3-2-4-7-17)14-11-20(21)24-23(26)19-9-5-8-18-12-15-28-22(18)19/h5,8-9,17,20-21H,2-4,6-7,10-16H2,1H3,(H,24,26)
InChIKeyUFFPYCCKPSGPEG-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.41
Rot. Bonds6

About N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 67794502) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID67794502
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCOC1CN(CCC2CCCCC2)CCC1NC(=O)c1cccc2c1OCC2
InChIInChI=1S/C23H34N2O3/c1-27-21-16-25(13-10-17-6-3-2-4-7-17)14-11-20(21)24-23(26)19-9-5-8-18-12-15-28-22(18)19/h5,8-9,17,20-21H,2-4,6-7,10-16H2,1H3,(H,24,26)
InChIKeyUFFPYCCKPSGPEG-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-3-methoxypiperidin-4-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 67794762
N-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 67796743
N-[3-methoxy-1-[2-[(3-methylpyrazin-2-yl)amino]ethyl]piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
CID 67794996
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 95193246
4-amino-N-[(3S,4R)-1-(4-aminobutyl)-3-methoxypiperidin-4-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
CID 54151467
2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 70049058
ethyl N-[2-[4-[(4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-3-methoxypiperidin-1-yl]ethyl]-N-phenylcarbamate
CID 18929989
4-amino-5-chloro-N-[1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 15235717
N-[3-methoxy-1-[3-[(4-methoxypyrimidin-2-yl)amino]propyl]piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide;dihydrochloride
CID 67563333
4-amino-5-chloro-N-[3-methoxy-1-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 19968371
N-[1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 136565035
ethyl 1-(2,3-dihydro-1-benzofuran-7-carbonylamino)piperidine-3-carboxylate
CID 56760661

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 67794502) is N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is COC1CN(CCC2CCCCC2)CCC1NC(=O)c1cccc2c1OCC2.
What is the InChIKey of N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is UFFPYCCKPSGPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-27-21-16-25(13-10-17-6-3-2-4-7-17)14-11-20(21)24-23(26)19-9-5-8-18-12-15-28-22(18)19/h5,8-9,17,20-21H,2-4,6-7,10-16H2,1H3,(H,24,26).
What are the key properties of N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclohexylethyl)-3-methoxypiperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 67794502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).