N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide

C24H27F2N3O2S — CID 70854633

IUPACN-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide
SMILESO=C(NC1CC(c2ccc(C(F)F)cc2)CN(C(=O)N2CCSCC2)C1)c1ccccc1
InChIInChI=1S/C24H27F2N3O2S/c25-22(26)18-8-6-17(7-9-18)20-14-21(27-23(30)19-4-2-1-3-5-19)16-29(15-20)24(31)28-10-12-32-13-11-28/h1-9,20-22H,10-16H2,(H,27,30)
InChIKeyVXRYIYBUJWGGBN-UHFFFAOYSA-N
MW459.56 g/mol
LogP4.38
Rot. Bonds4

About N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide

N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide (PubChem CID 70854633) has the molecular formula C24H27F2N3O2S and a molecular weight of 459.56 g/mol. Its IUPAC name is N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide
PubChem CID70854633
Molecular FormulaC24H27F2N3O2S
Molecular Weight459.56 g/mol
Exact Mass459.18
IUPAC NameN-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide
SMILESO=C(NC1CC(c2ccc(C(F)F)cc2)CN(C(=O)N2CCSCC2)C1)c1ccccc1
InChIInChI=1S/C24H27F2N3O2S/c25-22(26)18-8-6-17(7-9-18)20-14-21(27-23(30)19-4-2-1-3-5-19)16-29(15-20)24(31)28-10-12-32-13-11-28/h1-9,20-22H,10-16H2,(H,27,30)
InChIKeyVXRYIYBUJWGGBN-UHFFFAOYSA-N
XLogP4.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide
CID 66701330
methyl 2-[[3-benzamido-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]amino]acetate
CID 66761299
N-[1-(3-methylpyridine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
CID 66762085
[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
CID 68762056
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
N-[1-(4-methylpiperazine-1-carbonyl)piperidin-4-yl]benzamide
CID 11674340
ethyl 4-[5-benzamido-1-[hydroxy(morpholin-4-yl)methyl]piperidin-3-yl]benzoate
CID 90879634
[1-[3-benzamido-5-(3,4-dimethylphenyl)piperidine-1-carbonyl]cyclobutyl]-tert-butylcarbamic acid
CID 66761322
N-(3-aminocyclobutyl)benzamide
CID 43594893
N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
CID 118422568
5-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(thiomorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 58116544
[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
CID 68762888

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide (CID 70854633) is N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide is O=C(NC1CC(c2ccc(C(F)F)cc2)CN(C(=O)N2CCSCC2)C1)c1ccccc1.
What is the InChIKey of N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide?
The InChIKey is VXRYIYBUJWGGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2S/c25-22(26)18-8-6-17(7-9-18)20-14-21(27-23(30)19-4-2-1-3-5-19)16-29(15-20)24(31)28-10-12-32-13-11-28/h1-9,20-22H,10-16H2,(H,27,30).
What are the key properties of N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide?
N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide has a molecular weight of 459.56 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(difluoromethyl)phenyl]-1-(thiomorpholine-4-carbonyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 70854633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).