1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide

C19H21FN2O3S — CID 47010558

IUPAC1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1cc(F)cc2c1OC(c1ccsc1)OC2
InChIInChI=1S/C19H21FN2O3S/c20-15-7-13(9-22-5-2-1-3-16(22)18(21)23)17-14(8-15)10-24-19(25-17)12-4-6-26-11-12/h4,6-8,11,16,19H,1-3,5,9-10H2,(H2,21,23)
InChIKeyZQHXXDNZOKDYGJ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.33
Rot. Bonds4

About 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide

1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide (PubChem CID 47010558) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
PubChem CID47010558
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC Name1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1cc(F)cc2c1OC(c1ccsc1)OC2
InChIInChI=1S/C19H21FN2O3S/c20-15-7-13(9-22-5-2-1-3-16(22)18(21)23)17-14(8-15)10-24-19(25-17)12-4-6-26-11-12/h4,6-8,11,16,19H,1-3,5,9-10H2,(H2,21,23)
InChIKeyZQHXXDNZOKDYGJ-UHFFFAOYSA-N
XLogP3.33
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide (CID 47010558) is 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1Cc1cc(F)cc2c1OC(c1ccsc1)OC2.
What is the InChIKey of 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide?
The InChIKey is ZQHXXDNZOKDYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-15-7-13(9-22-5-2-1-3-16(22)18(21)23)17-14(8-15)10-24-19(25-17)12-4-6-26-11-12/h4,6-8,11,16,19H,1-3,5,9-10H2,(H2,21,23).
What are the key properties of 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide?
1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 47010558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).