3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

C21H28ClFN2O2 — CID 126779638

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCc1ccc(-c2ccccc2F)o1)C1CCNCC1.Cl
InChIInChI=1S/C21H27FN2O2.ClH/c1-2-15-24(16-11-13-23-14-12-16)21(25)10-8-17-7-9-20(26-17)18-5-3-4-6-19(18)22;/h3-7,9,16,23H,2,8,10-15H2,1H3;1H
InChIKeyRLNVIRYEMSUYFK-UHFFFAOYSA-N
MW394.92 g/mol
LogP4.43
Rot. Bonds7

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 126779638) has the molecular formula C21H28ClFN2O2 and a molecular weight of 394.92 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID126779638
Molecular FormulaC21H28ClFN2O2
Molecular Weight394.92 g/mol
Exact Mass394.18
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)CCc1ccc(-c2ccccc2F)o1)C1CCNCC1.Cl
InChIInChI=1S/C21H27FN2O2.ClH/c1-2-15-24(16-11-13-23-14-12-16)21(25)10-8-17-7-9-20(26-17)18-5-3-4-6-19(18)22;/h3-7,9,16,23H,2,8,10-15H2,1H3;1H
InChIKeyRLNVIRYEMSUYFK-UHFFFAOYSA-N
XLogP4.43
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorophenyl)-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823505
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213
2-[cyclopropyl-[3-[5-(2-fluorophenyl)furan-2-yl]propanoyl]amino]propanoic acid
CID 119202954
3-(5-phenyl-1,3-oxazol-2-yl)-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823979
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
N-piperidin-4-yl-N-propyl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119825481
N-cyclopropyl-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
CID 17419085
3-(5-chlorothiophen-2-yl)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824116
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
4-(3,4-difluorophenyl)-N-piperidin-4-yl-N-propylbutanamide
CID 119824702
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[5-(2-fluorophenyl)furan-2-yl]propan-1-one;hydrochloride
CID 119646062
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 126779638) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)CCc1ccc(-c2ccccc2F)o1)C1CCNCC1.Cl.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is RLNVIRYEMSUYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2.ClH/c1-2-15-24(16-11-13-23-14-12-16)21(25)10-8-17-7-9-20(26-17)18-5-3-4-6-19(18)22;/h3-7,9,16,23H,2,8,10-15H2,1H3;1H.
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 394.92 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 126779638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).