N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide

C20H27F3N2O4S — CID 91906133

IUPACN-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N2O4S/c1-2-19(26)25(17-9-13-29-14-10-17)16-7-11-24(12-8-16)30(27,28)18-5-3-15(4-6-18)20(21,22)23/h3-6,16-17H,2,7-14H2,1H3
InChIKeyZRZKHGXHZXSGIZ-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.28
Rot. Bonds5

About N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide

N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide (PubChem CID 91906133) has the molecular formula C20H27F3N2O4S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
PubChem CID91906133
Molecular FormulaC20H27F3N2O4S
Molecular Weight448.51 g/mol
Exact Mass448.16
IUPAC NameN-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N2O4S/c1-2-19(26)25(17-9-13-29-14-10-17)16-7-11-24(12-8-16)30(27,28)18-5-3-15(4-6-18)20(21,22)23/h3-6,16-17H,2,7-14H2,1H3
InChIKeyZRZKHGXHZXSGIZ-UHFFFAOYSA-N
XLogP3.28
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 1154655
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CID 3218828
CID 3218828
CID 6020328
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CID 134789191
CID 134789191
CID 16323822
CID 16323822
CID 1326006
CID 1326006
CID 3698407
CID 3698407
CID 71796114
CID 71796114
CID 91906122
CID 91906122
CID 91906124
CID 91906124
CID 91906125
CID 91906125
CID 91906127
CID 91906127

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide (CID 91906133) is N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide is CCC(=O)N(C1CCOCC1)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The InChIKey is ZRZKHGXHZXSGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O4S/c1-2-19(26)25(17-9-13-29-14-10-17)16-7-11-24(12-8-16)30(27,28)18-5-3-15(4-6-18)20(21,22)23/h3-6,16-17H,2,7-14H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide has a molecular weight of 448.51 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 91906133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).