N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide

C18H24F4N2O2 — CID 47070110

IUPACN-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C18H24F4N2O2/c19-16-4-2-14(3-5-16)12-23-17(25)15-6-9-24(10-7-15)8-1-11-26-13-18(20,21)22/h2-5,15H,1,6-13H2,(H,23,25)
InChIKeyNNDJAAJUUWJINP-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.12
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide (PubChem CID 47070110) has the molecular formula C18H24F4N2O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide
PubChem CID47070110
Molecular FormulaC18H24F4N2O2
Molecular Weight376.39 g/mol
Exact Mass376.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C18H24F4N2O2/c19-16-4-2-14(3-5-16)12-23-17(25)15-6-9-24(10-7-15)8-1-11-26-13-18(20,21)22/h2-5,15H,1,6-13H2,(H,23,25)
InChIKeyNNDJAAJUUWJINP-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 55838287
1-[3-(cyclopentylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 51124193
N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902359
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
1-methylsulfonyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 30087660
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
N-[(4-fluorophenyl)methyl]-1-(2-hydroxybutyl)piperidine-4-carboxamide
CID 111544249
N-[(4-ethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46774662
N-[(4-methylphenyl)methyl]-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propanamide
CID 47810018
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 27107038

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide (CID 47070110) is N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide is O=C(NCc1ccc(F)cc1)C1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide?
The InChIKey is NNDJAAJUUWJINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F4N2O2/c19-16-4-2-14(3-5-16)12-23-17(25)15-6-9-24(10-7-15)8-1-11-26-13-18(20,21)22/h2-5,15H,1,6-13H2,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 47070110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).