N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide

C16H17F2N3OS — CID 71465852

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C16H17F2N3OS/c17-16(18)6-2-7-21(10-16)15(22)20-13-9-11(4-5-12(13)19)14-3-1-8-23-14/h1,3-5,8-9H,2,6-7,10,19H2,(H,20,22)
InChIKeyJJFRCAJRCJERLI-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.26
Rot. Bonds2

About N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide (PubChem CID 71465852) has the molecular formula C16H17F2N3OS and a molecular weight of 337.39 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide
PubChem CID71465852
Molecular FormulaC16H17F2N3OS
Molecular Weight337.39 g/mol
Exact Mass337.11
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)N1CCCC(F)(F)C1
InChIInChI=1S/C16H17F2N3OS/c17-16(18)6-2-7-21(10-16)15(22)20-13-9-11(4-5-12(13)19)14-3-1-8-23-14/h1,3-5,8-9H,2,6-7,10,19H2,(H,20,22)
InChIKeyJJFRCAJRCJERLI-UHFFFAOYSA-N
XLogP4.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide (CID 71465852) is N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide is Nc1ccc(-c2cccs2)cc1NC(=O)N1CCCC(F)(F)C1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide?
The InChIKey is JJFRCAJRCJERLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c17-16(18)6-2-7-21(10-16)15(22)20-13-9-11(4-5-12(13)19)14-3-1-8-23-14/h1,3-5,8-9H,2,6-7,10,19H2,(H,20,22).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-3,3-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 71465852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).