N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C22H27FN2O4 — CID 46476770

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2ccc(COc3ccc(F)cc3)o2)CC1
InChIInChI=1S/C22H27FN2O4/c1-22(2,3)21(27)25-12-10-16(11-13-25)24-20(26)19-9-8-18(29-19)14-28-17-6-4-15(23)5-7-17/h4-9,16H,10-14H2,1-3H3,(H,24,26)
InChIKeyIRTRANJRNQETAG-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.76
Rot. Bonds5

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 46476770) has the molecular formula C22H27FN2O4 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID46476770
Molecular FormulaC22H27FN2O4
Molecular Weight402.47 g/mol
Exact Mass402.20
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(NC(=O)c2ccc(COc3ccc(F)cc3)o2)CC1
InChIInChI=1S/C22H27FN2O4/c1-22(2,3)21(27)25-12-10-16(11-13-25)24-20(26)19-9-8-18(29-19)14-28-17-6-4-15(23)5-7-17/h4-9,16H,10-14H2,1-3H3,(H,24,26)
InChIKeyIRTRANJRNQETAG-UHFFFAOYSA-N
XLogP3.76
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 998142
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-(4-fluorophenyl)propanamide
CID 110819897
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 41470195
N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]-5-[(4-methylsulfonylphenoxy)methyl]furan-2-carboxamide
CID 75426835
1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 51159283
5-[(4-fluorophenoxy)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)furan-2-carboxamide
CID 126787957

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 46476770) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is CC(C)(C)C(=O)N1CCC(NC(=O)c2ccc(COc3ccc(F)cc3)o2)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is IRTRANJRNQETAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4/c1-22(2,3)21(27)25-12-10-16(11-13-25)24-20(26)19-9-8-18(29-19)14-28-17-6-4-15(23)5-7-17/h4-9,16H,10-14H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 46476770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).