5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride

C20H23ClFN5O3 — CID 120643491

IUPAC5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C20H22FN5O3.ClH/c1-26-20(23-18(25-26)13-8-10-22-11-9-13)24-19(27)17-7-6-16(29-17)12-28-15-4-2-14(21)3-5-15;/h2-7,13,22H,8-12H2,1H3,(H,23,24,25,27);1H
InChIKeyAMMRZJGRBIGIER-UHFFFAOYSA-N
MW435.89 g/mol
LogP3.27
Rot. Bonds6

About 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride

5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride (PubChem CID 120643491) has the molecular formula C20H23ClFN5O3 and a molecular weight of 435.89 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
PubChem CID120643491
Molecular FormulaC20H23ClFN5O3
Molecular Weight435.89 g/mol
Exact Mass435.15
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)c1ccc(COc2ccc(F)cc2)o1
InChIInChI=1S/C20H22FN5O3.ClH/c1-26-20(23-18(25-26)13-8-10-22-11-9-13)24-19(27)17-7-6-16(29-17)12-28-15-4-2-14(21)3-5-15;/h2-7,13,22H,8-12H2,1H3,(H,23,24,25,27);1H
InChIKeyAMMRZJGRBIGIER-UHFFFAOYSA-N
XLogP3.27
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120644464
5-(4-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride
CID 120642483
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120642114
3-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644136
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 120644292
5-(2-chlorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 120645092
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
2-hydroxy-3-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120644350
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644720
4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408918
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
2-(3-bromo-4-fluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120643814

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride (CID 120643491) is 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)c1ccc(COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride?
The InChIKey is AMMRZJGRBIGIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3.ClH/c1-26-20(23-18(25-26)13-8-10-22-11-9-13)24-19(27)17-7-6-16(29-17)12-28-15-4-2-14(21)3-5-15;/h2-7,13,22H,8-12H2,1H3,(H,23,24,25,27);1H.
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride?
5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride has a molecular weight of 435.89 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 120643491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).