N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C23H30F3N5O2S — CID 162370339

IUPACN-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(NCCC1CCN(Cc2csnn2)CC1)C1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C23H30F3N5O2S/c24-23(25,26)33-21-3-1-20(2-4-21)31-13-8-18(9-14-31)22(32)27-10-5-17-6-11-30(12-7-17)15-19-16-34-29-28-19/h1-4,16-18H,5-15H2,(H,27,32)
InChIKeyWGDOFAPQTVPEDL-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.07
Rot. Bonds8

About N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 162370339) has the molecular formula C23H30F3N5O2S and a molecular weight of 497.59 g/mol. Its IUPAC name is N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID162370339
Molecular FormulaC23H30F3N5O2S
Molecular Weight497.59 g/mol
Exact Mass497.21
IUPAC NameN-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(NCCC1CCN(Cc2csnn2)CC1)C1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C23H30F3N5O2S/c24-23(25,26)33-21-3-1-20(2-4-21)31-13-8-18(9-14-31)22(32)27-10-5-17-6-11-30(12-7-17)15-19-16-34-29-28-19/h1-4,16-18H,5-15H2,(H,27,32)
InChIKeyWGDOFAPQTVPEDL-UHFFFAOYSA-N
XLogP4.07
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 162370339) is N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is O=C(NCCC1CCN(Cc2csnn2)CC1)C1CCN(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is WGDOFAPQTVPEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N5O2S/c24-23(25,26)33-21-3-1-20(2-4-21)31-13-8-18(9-14-31)22(32)27-10-5-17-6-11-30(12-7-17)15-19-16-34-29-28-19/h1-4,16-18H,5-15H2,(H,27,32).
What are the key properties of N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 497.59 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(thiadiazol-4-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 162370339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).