4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C21H22F4N2O2 — CID 71784917

IUPAC4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(COCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H22F4N2O2/c22-18-5-1-15(2-6-18)13-29-14-16-9-11-27(12-10-16)20(28)26-19-7-3-17(4-8-19)21(23,24)25/h1-8,16H,9-14H2,(H,26,28)
InChIKeyAUUFPUCTVQITOQ-UHFFFAOYSA-N
MW410.41 g/mol
LogP5.31
Rot. Bonds5

About 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 71784917) has the molecular formula C21H22F4N2O2 and a molecular weight of 410.41 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID71784917
Molecular FormulaC21H22F4N2O2
Molecular Weight410.41 g/mol
Exact Mass410.16
IUPAC Name4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(COCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H22F4N2O2/c22-18-5-1-15(2-6-18)13-29-14-16-9-11-27(12-10-16)20(28)26-19-7-3-17(4-8-19)21(23,24)25/h1-8,16H,9-14H2,(H,26,28)
InChIKeyAUUFPUCTVQITOQ-UHFFFAOYSA-N
XLogP5.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-cyanophenyl)methoxymethyl]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide;oxalic acid
CID 71785004
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 71784887
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(3,4-dimethoxyphenyl)-4-[3-[[2-[(4-fluorophenyl)methoxy]acetyl]amino]propyl]piperidine-1-carboxamide
CID 58756740
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189
3-[(4-fluorophenyl)methyl]-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138996907
N-(4-fluorophenyl)-4-sulfanylpiperidine-1-carboxamide
CID 123534187
3-(benzenesulfonyl)-1-[4-[(4-fluorophenyl)methoxymethyl]piperidin-1-yl]propan-1-one
CID 71784886
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 71784917) is 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(COCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is AUUFPUCTVQITOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O2/c22-18-5-1-15(2-6-18)13-29-14-16-9-11-27(12-10-16)20(28)26-19-7-3-17(4-8-19)21(23,24)25/h1-8,16H,9-14H2,(H,26,28).
What are the key properties of 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxymethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 71784917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).