5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride

C20H27ClN2O3 — CID 120600342

IUPAC5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
SMILESCc1ccc(OCc2ccc(C(=O)NC3CCNC(C)C3)o2)c(C)c1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-13-4-6-18(14(2)10-13)24-12-17-5-7-19(25-17)20(23)22-16-8-9-21-15(3)11-16;/h4-7,10,15-16,21H,8-9,11-12H2,1-3H3,(H,22,23);1H
InChIKeyHZPNMZUNRBJRJK-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.77
Rot. Bonds5

About 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride

5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride (PubChem CID 120600342) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
PubChem CID120600342
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride
SMILESCc1ccc(OCc2ccc(C(=O)NC3CCNC(C)C3)o2)c(C)c1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-13-4-6-18(14(2)10-13)24-12-17-5-7-19(25-17)20(23)22-16-8-9-21-15(3)11-16;/h4-7,10,15-16,21H,8-9,11-12H2,1-3H3,(H,22,23);1H
InChIKeyHZPNMZUNRBJRJK-UHFFFAOYSA-N
XLogP3.77
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide
CID 120600343
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119458931
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
5-[(4-chloro-2-methylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 19457491
5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride
CID 119444065
5-[(4-chloro-2-methylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19457564
5-[(4-chloro-2-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19457527
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492924
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119244528
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991
N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 47069838

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride (CID 120600342) is 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride is Cc1ccc(OCc2ccc(C(=O)NC3CCNC(C)C3)o2)c(C)c1.Cl.
What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride?
The InChIKey is HZPNMZUNRBJRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-13-4-6-18(14(2)10-13)24-12-17-5-7-19(25-17)20(23)22-16-8-9-21-15(3)11-16;/h4-7,10,15-16,21H,8-9,11-12H2,1-3H3,(H,22,23);1H.
What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride?
5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120600342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).