N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide

C20H25FN2O2 — CID 24817851

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)o1
InChIInChI=1S/C20H25FN2O2/c1-14-11-15(2)25-19(14)20(24)22(3)17-8-6-10-23(13-17)12-16-7-4-5-9-18(16)21/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3
InChIKeyXSPNOTSKTUAMDK-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.77
Rot. Bonds4

About N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide (PubChem CID 24817851) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide
PubChem CID24817851
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)o1
InChIInChI=1S/C20H25FN2O2/c1-14-11-15(2)25-19(14)20(24)22(3)17-8-6-10-23(13-17)12-16-7-4-5-9-18(16)21/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3
InChIKeyXSPNOTSKTUAMDK-UHFFFAOYSA-N
XLogP3.77
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide (CID 24817851) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide is Cc1cc(C)c(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)o1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide?
The InChIKey is XSPNOTSKTUAMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-14-11-15(2)25-19(14)20(24)22(3)17-8-6-10-23(13-17)12-16-7-4-5-9-18(16)21/h4-5,7,9,11,17H,6,8,10,12-13H2,1-3H3.
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,3,5-trimethylfuran-2-carboxamide is sourced from PubChem (CID 24817851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).