N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide

C14H18F2N2O2S — CID 119770540

IUPACN-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(SC(F)F)c2)CCNCC1
InChIInChI=1S/C14H18F2N2O2S/c1-20-14(5-7-17-8-6-14)12(19)18-10-3-2-4-11(9-10)21-13(15)16/h2-4,9,13,17H,5-8H2,1H3,(H,18,19)
InChIKeyDDHAYPNQMBYPMM-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.71
Rot. Bonds5

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

N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119770540) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119770540
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC NameN-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(SC(F)F)c2)CCNCC1
InChIInChI=1S/C14H18F2N2O2S/c1-20-14(5-7-17-8-6-14)12(19)18-10-3-2-4-11(9-10)21-13(15)16/h2-4,9,13,17H,5-8H2,1H3,(H,18,19)
InChIKeyDDHAYPNQMBYPMM-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide (CID 119770540) is N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2cccc(SC(F)F)c2)CCNCC1.
What is the InChIKey of N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is DDHAYPNQMBYPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c1-20-14(5-7-17-8-6-14)12(19)18-10-3-2-4-11(9-10)21-13(15)16/h2-4,9,13,17H,5-8H2,1H3,(H,18,19).
What are the key properties of N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119770540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).