2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide

C22H32N2O2 — CID 19064672

IUPAC2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide
SMILESCCCCCN1CCC(c2coc3ccc(NC(=O)C(C)C)cc23)CC1
InChIInChI=1S/C22H32N2O2/c1-4-5-6-11-24-12-9-17(10-13-24)20-15-26-21-8-7-18(14-19(20)21)23-22(25)16(2)3/h7-8,14-17H,4-6,9-13H2,1-3H3,(H,23,25)
InChIKeyGSYGCEVKSMDACH-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.40
Rot. Bonds7

About 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide

2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide (PubChem CID 19064672) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide
PubChem CID19064672
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide
SMILESCCCCCN1CCC(c2coc3ccc(NC(=O)C(C)C)cc23)CC1
InChIInChI=1S/C22H32N2O2/c1-4-5-6-11-24-12-9-17(10-13-24)20-15-26-21-8-7-18(14-19(20)21)23-22(25)16(2)3/h7-8,14-17H,4-6,9-13H2,1-3H3,(H,23,25)
InChIKeyGSYGCEVKSMDACH-UHFFFAOYSA-N
XLogP5.40
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]-3-phenylurea;2-phenylpropanoic acid
CID 67667885
2-hexoxy-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]benzamide
CID 19064704
butyl 2-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoylamino]benzoate
CID 19064548
butan-2-yl N-phenyl-N-[[3-(1-propylpiperidin-4-yl)-1-benzofuran-5-yl]carbamoyl]carbamate
CID 67620834
N-(2-butyl-1,3-dihydroisoindol-5-yl)-2-methylpropanamide
CID 47092803
1-(2,3-dibromophenyl)-3-[3-(1-propan-2-ylpiperidin-4-yl)-1-benzofuran-5-yl]urea
CID 19064726
N-[3-[1-(2-aminoethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16757469
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
N-[3-(1-methylpiperidin-4-yl)-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
CID 19064525
N-[3-[1-[3-(1-anilinoethenylamino)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 89383026
N-[3-[1-[5-(4-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049378
N-[3-[1-[3-(2-bromophenoxy)propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide (CID 19064672) is 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide is CCCCCN1CCC(c2coc3ccc(NC(=O)C(C)C)cc23)CC1.
What is the InChIKey of 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide?
The InChIKey is GSYGCEVKSMDACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-4-5-6-11-24-12-9-17(10-13-24)20-15-26-21-8-7-18(14-19(20)21)23-22(25)16(2)3/h7-8,14-17H,4-6,9-13H2,1-3H3,(H,23,25).
What are the key properties of 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide?
2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide has a molecular weight of 356.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-pentylpiperidin-4-yl)-1-benzofuran-5-yl]propanamide is sourced from PubChem (CID 19064672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).