5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride

C20H27ClN2O3 — CID 119444065

IUPAC5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride
SMILESCc1ccc(OCc2ccc(C(=O)N(C)C3CCNCC3)o2)c(C)c1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-14-4-6-18(15(2)12-14)24-13-17-5-7-19(25-17)20(23)22(3)16-8-10-21-11-9-16;/h4-7,12,16,21H,8-11,13H2,1-3H3;1H
InChIKeyCHHLQFSLSVGJPT-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.72
Rot. Bonds5

About 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride

5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride (PubChem CID 119444065) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride
PubChem CID119444065
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride
SMILESCc1ccc(OCc2ccc(C(=O)N(C)C3CCNCC3)o2)c(C)c1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-14-4-6-18(15(2)12-14)24-13-17-5-7-19(25-17)20(23)22(3)16-8-10-21-11-9-16;/h4-7,12,16,21H,8-11,13H2,1-3H3;1H
InChIKeyCHHLQFSLSVGJPT-UHFFFAOYSA-N
XLogP3.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 119441155
5-ethyl-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 79094742
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111663036
5-[(4-fluorophenoxy)methyl]-N-methyl-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119549878
5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
CID 120600342
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119458931
5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide
CID 120600343
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-methylfuran-2-carboxamide
CID 717036
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492924
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride (CID 119444065) is 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride is Cc1ccc(OCc2ccc(C(=O)N(C)C3CCNCC3)o2)c(C)c1.Cl.
What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride?
The InChIKey is CHHLQFSLSVGJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-14-4-6-18(15(2)12-14)24-13-17-5-7-19(25-17)20(23)22(3)16-8-10-21-11-9-16;/h4-7,12,16,21H,8-11,13H2,1-3H3;1H.
What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride?
5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119444065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).