2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide

C20H26N2O3 — CID 60503609

IUPAC2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(OC2CCN(CC(=O)NCc3ccco3)CC2)cc1C
InChIInChI=1S/C20H26N2O3/c1-15-5-6-18(12-16(15)2)25-17-7-9-22(10-8-17)14-20(23)21-13-19-4-3-11-24-19/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,21,23)
InChIKeyXABXDSNCFBKQIW-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.06
Rot. Bonds6

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

2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 60503609) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID60503609
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1ccc(OC2CCN(CC(=O)NCc3ccco3)CC2)cc1C
InChIInChI=1S/C20H26N2O3/c1-15-5-6-18(12-16(15)2)25-17-7-9-22(10-8-17)14-20(23)21-13-19-4-3-11-24-19/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,21,23)
InChIKeyXABXDSNCFBKQIW-UHFFFAOYSA-N
XLogP3.06
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657241
N-(furan-2-ylmethyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 1437976
N-(furan-2-ylmethyl)-2-[4-(phenoxymethyl)piperidin-1-yl]acetamide
CID 60573051
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 115301905
2-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 6468198
N-(furan-2-ylmethyl)-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63257535
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]acetamide
CID 71793804
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 106672810
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 60503609) is 2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide is Cc1ccc(OC2CCN(CC(=O)NCc3ccco3)CC2)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is XABXDSNCFBKQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-15-5-6-18(12-16(15)2)25-17-7-9-22(10-8-17)14-20(23)21-13-19-4-3-11-24-19/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 60503609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).