N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

C20H27F3N2O4S — CID 57393388

IUPACN-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N2O4S/c21-20(22,23)29-17-7-9-18(10-8-17)30(27,28)25-13-11-15(12-14-25)19(26)24-16-5-3-1-2-4-6-16/h7-10,15-16H,1-6,11-14H2,(H,24,26)
InChIKeyRNILRMHDCWQMBG-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.82
Rot. Bonds5

About N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 57393388) has the molecular formula C20H27F3N2O4S and a molecular weight of 448.51 g/mol. Its IUPAC name is N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID57393388
Molecular FormulaC20H27F3N2O4S
Molecular Weight448.51 g/mol
Exact Mass448.16
IUPAC NameN-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C20H27F3N2O4S/c21-20(22,23)29-17-7-9-18(10-8-17)30(27,28)25-13-11-15(12-14-25)19(26)24-16-5-3-1-2-4-6-16/h7-10,15-16H,1-6,11-14H2,(H,24,26)
InChIKeyRNILRMHDCWQMBG-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide (CID 57393388) is N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is RNILRMHDCWQMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O4S/c21-20(22,23)29-17-7-9-18(10-8-17)30(27,28)25-13-11-15(12-14-25)19(26)24-16-5-3-1-2-4-6-16/h7-10,15-16H,1-6,11-14H2,(H,24,26).
What are the key properties of N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 57393388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).