N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide

C15H20F2N2OS — CID 114626722

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCC(NC(=O)CSC1CCNCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2OS/c1-10(11-2-3-13(16)14(17)8-11)19-15(20)9-21-12-4-6-18-7-5-12/h2-3,8,10,12,18H,4-7,9H2,1H3,(H,19,20)
InChIKeyWOCNDCWJFOBLDA-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.63
Rot. Bonds5

About N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide

N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626722) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626722
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCC(NC(=O)CSC1CCNCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2OS/c1-10(11-2-3-13(16)14(17)8-11)19-15(20)9-21-12-4-6-18-7-5-12/h2-3,8,10,12,18H,4-7,9H2,1H3,(H,19,20)
InChIKeyWOCNDCWJFOBLDA-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940416
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940419
N-[1-(2,5-dimethylphenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626837
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 124517249
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
2-(tert-butylamino)-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 47839633

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide (CID 114626722) is N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide is CC(NC(=O)CSC1CCNCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is WOCNDCWJFOBLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-10(11-2-3-13(16)14(17)8-11)19-15(20)9-21-12-4-6-18-7-5-12/h2-3,8,10,12,18H,4-7,9H2,1H3,(H,19,20).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 314.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).