4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C23H23F3N4O — CID 90494538

IUPAC4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)19-7-4-8-20(15-19)28-22(31)29-12-9-17(10-13-29)16-30-14-11-27-21(30)18-5-2-1-3-6-18/h1-8,11,14-15,17H,9-10,12-13,16H2,(H,28,31)
InChIKeyNLGOGUAQAPKDPJ-UHFFFAOYSA-N
MW428.46 g/mol
LogP5.51
Rot. Bonds4

About 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 90494538) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID90494538
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)19-7-4-8-20(15-19)28-22(31)29-12-9-17(10-13-29)16-30-14-11-27-21(30)18-5-2-1-3-6-18/h1-8,11,14-15,17H,9-10,12-13,16H2,(H,28,31)
InChIKeyNLGOGUAQAPKDPJ-UHFFFAOYSA-N
XLogP5.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90494539
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
N-(3-fluorophenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494417
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 90493981
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 71805623
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494424
1-adamantyl-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493512

Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 90494538) is 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1.
What is the InChIKey of 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is NLGOGUAQAPKDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c24-23(25,26)19-7-4-8-20(15-19)28-22(31)29-12-9-17(10-13-29)16-30-14-11-27-21(30)18-5-2-1-3-6-18/h1-8,11,14-15,17H,9-10,12-13,16H2,(H,28,31).
What are the key properties of 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylimidazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 90494538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).