N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide

C21H25F3N4O3 — CID 86884566

IUPACN-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3OC(F)(F)F)CC2)cn1
InChIInChI=1S/C21H25F3N4O3/c1-2-28-14-17(13-25-28)26-20(30)16-9-11-27(12-10-16)19(29)8-7-15-5-3-4-6-18(15)31-21(22,23)24/h3-6,13-14,16H,2,7-12H2,1H3,(H,26,30)
InChIKeyLGALDPPYISEVET-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.61
Rot. Bonds7

About N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide (PubChem CID 86884566) has the molecular formula C21H25F3N4O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide
PubChem CID86884566
Molecular FormulaC21H25F3N4O3
Molecular Weight438.45 g/mol
Exact Mass438.19
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3OC(F)(F)F)CC2)cn1
InChIInChI=1S/C21H25F3N4O3/c1-2-28-14-17(13-25-28)26-20(30)16-9-11-27(12-10-16)19(29)8-7-15-5-3-4-6-18(15)31-21(22,23)24/h3-6,13-14,16H,2,7-12H2,1H3,(H,26,30)
InChIKeyLGALDPPYISEVET-UHFFFAOYSA-N
XLogP3.61
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide (CID 86884566) is N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)CCc3ccccc3OC(F)(F)F)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is LGALDPPYISEVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O3/c1-2-28-14-17(13-25-28)26-20(30)16-9-11-27(12-10-16)19(29)8-7-15-5-3-4-6-18(15)31-21(22,23)24/h3-6,13-14,16H,2,7-12H2,1H3,(H,26,30).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-[3-[2-(trifluoromethoxy)phenyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 86884566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).