N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C24H23F3N4O2 — CID 39190015

IUPACN-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)20-7-5-19(6-8-20)23(33)30-13-9-18(10-14-30)22(32)29-21-4-1-3-17(15-21)16-31-12-2-11-28-31/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,29,32)
InChIKeyHPUOSSLCTGPGOV-UHFFFAOYSA-N
MW456.47 g/mol
LogP4.44
Rot. Bonds5

About N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 39190015) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID39190015
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C24H23F3N4O2/c25-24(26,27)20-7-5-19(6-8-20)23(33)30-13-9-18(10-14-30)22(32)29-21-4-1-3-17(15-21)16-31-12-2-11-28-31/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,29,32)
InChIKeyHPUOSSLCTGPGOV-UHFFFAOYSA-N
XLogP4.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 39189984
N-pyridin-4-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41373176
N-[3-(diethylcarbamoyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26079950
N-[3-(pyrazol-1-ylmethyl)phenyl]oxane-4-carboxamide
CID 39190126
N-[3-(1,3-dithian-2-yl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26129115
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
dimethyl 5-[[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26015500
N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 51309590
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 39190015) is N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is HPUOSSLCTGPGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c25-24(26,27)20-7-5-19(6-8-20)23(33)30-13-9-18(10-14-30)22(32)29-21-4-1-3-17(15-21)16-31-12-2-11-28-31/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,29,32).
What are the key properties of N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrazol-1-ylmethyl)phenyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 39190015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).