4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C16H17F3N4O2S — CID 155876366

IUPAC4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(c1ccsc1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)11-20-14(25)15(23-6-1-5-21-23)3-7-22(8-4-15)13(24)12-2-9-26-10-12/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,20,25)
InChIKeyKRPSGIVJWMHNEL-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.25
Rot. Bonds4

About 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 155876366) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID155876366
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC Name4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(c1ccsc1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)11-20-14(25)15(23-6-1-5-21-23)3-7-22(8-4-15)13(24)12-2-9-26-10-12/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,20,25)
InChIKeyKRPSGIVJWMHNEL-UHFFFAOYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 155876366) is 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(c1ccsc1)N1CCC(C(=O)NCC(F)(F)F)(n2cccn2)CC1.
What is the InChIKey of 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is KRPSGIVJWMHNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)11-20-14(25)15(23-6-1-5-21-23)3-7-22(8-4-15)13(24)12-2-9-26-10-12/h1-2,5-6,9-10H,3-4,7-8,11H2,(H,20,25).
What are the key properties of 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-1-(thiophene-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155876366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).