N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C20H23F3N4O2S — CID 71806833

IUPACN-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1nnsc1C(=O)N1CCC(CNC(=O)CCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H23F3N4O2S/c1-13-18(30-26-25-13)19(29)27-10-8-15(9-11-27)12-24-17(28)7-4-14-2-5-16(6-3-14)20(21,22)23/h2-3,5-6,15H,4,7-12H2,1H3,(H,24,28)
InChIKeyDGJXGVCUIWJSRV-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.47
Rot. Bonds6

About N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 71806833) has the molecular formula C20H23F3N4O2S and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID71806833
Molecular FormulaC20H23F3N4O2S
Molecular Weight440.49 g/mol
Exact Mass440.15
IUPAC NameN-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCc1nnsc1C(=O)N1CCC(CNC(=O)CCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H23F3N4O2S/c1-13-18(30-26-25-13)19(29)27-10-8-15(9-11-27)12-24-17(28)7-4-14-2-5-16(6-3-14)20(21,22)23/h2-3,5-6,15H,4,7-12H2,1H3,(H,24,28)
InChIKeyDGJXGVCUIWJSRV-UHFFFAOYSA-N
XLogP3.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 71806833) is N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is Cc1nnsc1C(=O)N1CCC(CNC(=O)CCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is DGJXGVCUIWJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2S/c1-13-18(30-26-25-13)19(29)27-10-8-15(9-11-27)12-24-17(28)7-4-14-2-5-16(6-3-14)20(21,22)23/h2-3,5-6,15H,4,7-12H2,1H3,(H,24,28).
What are the key properties of N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 440.49 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 71806833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).