N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide

C19H23FN2O3 — CID 24793167

IUPACN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC2CCCN(Cc3ccccc3F)C2)o1
InChIInChI=1S/C19H23FN2O3/c1-24-13-16-8-9-18(25-16)19(23)21-15-6-4-10-22(12-15)11-14-5-2-3-7-17(14)20/h2-3,5,7-9,15H,4,6,10-13H2,1H3,(H,21,23)
InChIKeyBTAJWRKJSRDMLA-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.96
Rot. Bonds6

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

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 24793167) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID24793167
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC NameN-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC2CCCN(Cc3ccccc3F)C2)o1
InChIInChI=1S/C19H23FN2O3/c1-24-13-16-8-9-18(25-16)19(23)21-15-6-4-10-22(12-15)11-14-5-2-3-7-17(14)20/h2-3,5,7-9,15H,4,6,10-13H2,1H3,(H,21,23)
InChIKeyBTAJWRKJSRDMLA-UHFFFAOYSA-N
XLogP2.96
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide (CID 24793167) is N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NC2CCCN(Cc3ccccc3F)C2)o1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is BTAJWRKJSRDMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-24-13-16-8-9-18(25-16)19(23)21-15-6-4-10-22(12-15)11-14-5-2-3-7-17(14)20/h2-3,5,7-9,15H,4,6,10-13H2,1H3,(H,21,23).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide?
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 24793167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).