N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide

C22H26N2O2 — CID 67648009

IUPACN-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2Cc3cc(Cc4ccccc4)ccc3O2)CC1
InChIInChI=1S/C22H26N2O2/c1-24-11-9-18(10-12-24)22(25)23-21-15-19-14-17(7-8-20(19)26-21)13-16-5-3-2-4-6-16/h2-8,14,18,21H,9-13,15H2,1H3,(H,23,25)
InChIKeyOVWQKCGLRIFLLP-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.00
Rot. Bonds4

About N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide

N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide (PubChem CID 67648009) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide
PubChem CID67648009
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC2Cc3cc(Cc4ccccc4)ccc3O2)CC1
InChIInChI=1S/C22H26N2O2/c1-24-11-9-18(10-12-24)22(25)23-21-15-19-14-17(7-8-20(19)26-21)13-16-5-3-2-4-6-16/h2-8,14,18,21H,9-13,15H2,1H3,(H,23,25)
InChIKeyOVWQKCGLRIFLLP-UHFFFAOYSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
1-methyl-N-[1-(4-phenylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 145353936
1-methyl-N-(1-phenylpropyl)piperidine-4-carboxamide
CID 50875269
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
1-methyl-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 115277550
1,2-diphenylethyl 1-methylpiperidine-4-carboxylate
CID 70925787
1-(5-benzyl-2-hydroxybenzoyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51132718
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175009875
N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide (CID 67648009) is N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NC2Cc3cc(Cc4ccccc4)ccc3O2)CC1.
What is the InChIKey of N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide?
The InChIKey is OVWQKCGLRIFLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-24-11-9-18(10-12-24)22(25)23-21-15-19-14-17(7-8-20(19)26-21)13-16-5-3-2-4-6-16/h2-8,14,18,21H,9-13,15H2,1H3,(H,23,25).
What are the key properties of N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide?
N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-2,3-dihydro-1-benzofuran-2-yl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 67648009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).