N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide

C13H16F2N2O2S — CID 47191314

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)N1CCCC(O)C1
InChIInChI=1S/C13H16F2N2O2S/c14-12(15)20-11-5-3-9(4-6-11)16-13(19)17-7-1-2-10(18)8-17/h3-6,10,12,18H,1-2,7-8H2,(H,16,19)
InChIKeyUAIJWAOEZDMWAQ-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.99
Rot. Bonds3

About N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide

N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 47191314) has the molecular formula C13H16F2N2O2S and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID47191314
Molecular FormulaC13H16F2N2O2S
Molecular Weight302.35 g/mol
Exact Mass302.09
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(SC(F)F)cc1)N1CCCC(O)C1
InChIInChI=1S/C13H16F2N2O2S/c14-12(15)20-11-5-3-9(4-6-11)16-13(19)17-7-1-2-10(18)8-17/h3-6,10,12,18H,1-2,7-8H2,(H,16,19)
InChIKeyUAIJWAOEZDMWAQ-UHFFFAOYSA-N
XLogP2.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide (CID 47191314) is N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide is O=C(Nc1ccc(SC(F)F)cc1)N1CCCC(O)C1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is UAIJWAOEZDMWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2S/c14-12(15)20-11-5-3-9(4-6-11)16-13(19)17-7-1-2-10(18)8-17/h3-6,10,12,18H,1-2,7-8H2,(H,16,19).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 47191314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).