N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide

C20H26N2O3 — CID 16896180

IUPACN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C20H26N2O3/c1-16-4-2-5-18(12-16)25-15-20(23)21-13-17-7-9-22(10-8-17)14-19-6-3-11-24-19/h2-6,11-12,17H,7-10,13-15H2,1H3,(H,21,23)
InChIKeyRDBMRXGOYGDQRL-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds7

About N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide

N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide (PubChem CID 16896180) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
PubChem CID16896180
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C20H26N2O3/c1-16-4-2-5-18(12-16)25-15-20(23)21-13-17-7-9-22(10-8-17)14-19-6-3-11-24-19/h2-6,11-12,17H,7-10,13-15H2,1H3,(H,21,23)
InChIKeyRDBMRXGOYGDQRL-UHFFFAOYSA-N
XLogP3.00
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110733552
2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108751
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
2,6-difluoro-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896109
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-N'-(4-methyl-2-nitrophenyl)oxamide
CID 16887318
2-(3-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112977702
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]adamantane-1-carboxamide
CID 16896113
2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619766
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
1-(2,5-dimethylphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888258

Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide (CID 16896180) is N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCC2CCN(Cc3ccco3)CC2)c1.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is RDBMRXGOYGDQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16-4-2-5-18(12-16)25-15-20(23)21-13-17-7-9-22(10-8-17)14-19-6-3-11-24-19/h2-6,11-12,17H,7-10,13-15H2,1H3,(H,21,23).
What are the key properties of N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide?
N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 16896180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).