N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide

C16H22F2N2OS — CID 119669006

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCNCC1
InChIInChI=1S/C16H22F2N2OS/c1-11(12-6-8-19-9-7-12)10-15(21)20-13-2-4-14(5-3-13)22-16(17)18/h2-5,11-12,16,19H,6-10H2,1H3,(H,20,21)
InChIKeyDXHYNZNQEQJPCN-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.97
Rot. Bonds6

About N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide

N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide (PubChem CID 119669006) has the molecular formula C16H22F2N2OS and a molecular weight of 328.43 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
PubChem CID119669006
Molecular FormulaC16H22F2N2OS
Molecular Weight328.43 g/mol
Exact Mass328.14
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCNCC1
InChIInChI=1S/C16H22F2N2OS/c1-11(12-6-8-19-9-7-12)10-15(21)20-13-2-4-14(5-3-13)22-16(17)18/h2-5,11-12,16,19H,6-10H2,1H3,(H,20,21)
InChIKeyDXHYNZNQEQJPCN-UHFFFAOYSA-N
XLogP3.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[2-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119687144
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040
N-[4-(2-methylsulfanylethyl)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119769607
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
3-piperidin-4-yl-N-[4-(propan-2-yloxymethyl)phenyl]butanamide;hydrochloride
CID 119742885
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
3-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide;hydrochloride
CID 119698638

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide (CID 119669006) is N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1ccc(SC(F)F)cc1)C1CCNCC1.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide?
The InChIKey is DXHYNZNQEQJPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2OS/c1-11(12-6-8-19-9-7-12)10-15(21)20-13-2-4-14(5-3-13)22-16(17)18/h2-5,11-12,16,19H,6-10H2,1H3,(H,20,21).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide?
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide has a molecular weight of 328.43 g/mol, XLogP of 3.97, 6 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-piperidin-4-ylbutanamide is sourced from PubChem (CID 119669006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).