4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide

C19H26F3N3OS — CID 166194791

IUPAC4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(CC(F)(F)F)C1)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C19H26F3N3OS/c20-19(21,22)14-25-7-1-2-17(13-25)23-18(26)16-5-3-15(4-6-16)12-24-8-10-27-11-9-24/h3-6,17H,1-2,7-14H2,(H,23,26)
InChIKeyXDIRDVQZKBIJHT-UHFFFAOYSA-N
MW401.50 g/mol
LogP2.99
Rot. Bonds5

About 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide

4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide (PubChem CID 166194791) has the molecular formula C19H26F3N3OS and a molecular weight of 401.50 g/mol. Its IUPAC name is 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide
PubChem CID166194791
Molecular FormulaC19H26F3N3OS
Molecular Weight401.50 g/mol
Exact Mass401.17
IUPAC Name4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide
SMILESO=C(NC1CCCN(CC(F)(F)F)C1)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C19H26F3N3OS/c20-19(21,22)14-25-7-1-2-17(13-25)23-18(26)16-5-3-15(4-6-16)12-24-8-10-27-11-9-24/h3-6,17H,1-2,7-14H2,(H,23,26)
InChIKeyXDIRDVQZKBIJHT-UHFFFAOYSA-N
XLogP2.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55653777
N-(7,7-difluoro-3-bicyclo[4.1.0]heptanyl)-4-(thiomorpholin-4-ylmethyl)benzamide
CID 166244803
4-ethyl-3-methylsulfonyl-N-[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide
CID 125143102
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
CID 126774083
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 163345445
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97196232
N-(1-benzylpiperidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 164881543
4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 56911223
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592

Frequently Asked Questions

What is the IUPAC name of 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide?
The IUPAC name of 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide (CID 166194791) is 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide?
The canonical SMILES for 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide is O=C(NC1CCCN(CC(F)(F)F)C1)c1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide?
The InChIKey is XDIRDVQZKBIJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3OS/c20-19(21,22)14-25-7-1-2-17(13-25)23-18(26)16-5-3-15(4-6-16)12-24-8-10-27-11-9-24/h3-6,17H,1-2,7-14H2,(H,23,26).
What are the key properties of 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide?
4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide has a molecular weight of 401.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiomorpholin-4-ylmethyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 166194791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).