4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide

C16H22F2N2OS — CID 119824836

IUPAC4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(SC(F)F)cc1)C1CCNCC1
InChIInChI=1S/C16H22F2N2OS/c1-2-11-20(13-7-9-19-10-8-13)15(21)12-3-5-14(6-4-12)22-16(17)18/h3-6,13,16,19H,2,7-11H2,1H3
InChIKeyZLQVRGLHZDEDRI-UHFFFAOYSA-N
MW328.43 g/mol
LogP3.61
Rot. Bonds6

About 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide

4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide (PubChem CID 119824836) has the molecular formula C16H22F2N2OS and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
PubChem CID119824836
Molecular FormulaC16H22F2N2OS
Molecular Weight328.43 g/mol
Exact Mass328.14
IUPAC Name4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(SC(F)F)cc1)C1CCNCC1
InChIInChI=1S/C16H22F2N2OS/c1-2-11-20(13-7-9-19-10-8-13)15(21)12-3-5-14(6-4-12)22-16(17)18/h3-6,13,16,19H,2,7-11H2,1H3
InChIKeyZLQVRGLHZDEDRI-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethylsulfanyl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119531624
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824388
4-cyclohexyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823082
3-fluoro-4-iodo-N-piperidin-4-yl-N-propylbenzamide
CID 119825905
4-pentoxy-N-piperidin-4-yl-N-propylbenzamide
CID 119825577
4-[[methyl(2-methylpropanoyl)amino]methyl]-N-piperidin-4-yl-N-propylbenzamide
CID 119824648
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide (CID 119824836) is 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide is CCCN(C(=O)c1ccc(SC(F)F)cc1)C1CCNCC1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide?
The InChIKey is ZLQVRGLHZDEDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2OS/c1-2-11-20(13-7-9-19-10-8-13)15(21)12-3-5-14(6-4-12)22-16(17)18/h3-6,13,16,19H,2,7-11H2,1H3.
What are the key properties of 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide?
4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide has a molecular weight of 328.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-piperidin-4-yl-N-propylbenzamide is sourced from PubChem (CID 119824836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).