N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide

C16H19F3N2O3S — CID 55567282

IUPACN-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O3S/c17-16(18,19)25(23,24)14-5-1-11(2-6-14)15(22)20-12-7-9-21(10-8-12)13-3-4-13/h1-2,5-6,12-13H,3-4,7-10H2,(H,20,22)
InChIKeyYHAQZMIYMLHQLD-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.34
Rot. Bonds4

About N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide

N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 55567282) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide
PubChem CID55567282
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide
SMILESO=C(NC1CCN(C2CC2)CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H19F3N2O3S/c17-16(18,19)25(23,24)14-5-1-11(2-6-14)15(22)20-12-7-9-21(10-8-12)13-3-4-13/h1-2,5-6,12-13H,3-4,7-10H2,(H,20,22)
InChIKeyYHAQZMIYMLHQLD-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-4-iodobenzamide
CID 60730497
N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
CID 46548552
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
N-cyclopropyl-3-[[4-(trifluoromethylsulfonyl)benzoyl]amino]benzamide
CID 35743719
4-amino-N-(4-piperidin-1-ylcyclohexyl)benzamide
CID 143211763
N-(1-benzylpiperidin-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55653777
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
N-(1-cyclopropylpyrrolidin-3-yl)-3,4-difluorobenzamide
CID 47938545
N-(1-cyclopropylpiperidin-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41269183
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
N-(1-cyclopentylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 110752030
N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 86921667

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide (CID 55567282) is N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide is O=C(NC1CCN(C2CC2)CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is YHAQZMIYMLHQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c17-16(18,19)25(23,24)14-5-1-11(2-6-14)15(22)20-12-7-9-21(10-8-12)13-3-4-13/h1-2,5-6,12-13H,3-4,7-10H2,(H,20,22).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide?
N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 376.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 55567282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).