N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C23H24F4N2O — CID 86933953

IUPACN-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1cccc(C(F)(F)F)c1)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24F4N2O/c1-28(18-9-11-29(12-10-18)19-7-5-17(24)6-8-19)22(30)21-14-20(21)15-3-2-4-16(13-15)23(25,26)27/h2-8,13,18,20-21H,9-12,14H2,1H3
InChIKeyAJCUTPUIKXEUEP-UHFFFAOYSA-N
MW420.45 g/mol
LogP5.08
Rot. Bonds4

About N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 86933953) has the molecular formula C23H24F4N2O and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID86933953
Molecular FormulaC23H24F4N2O
Molecular Weight420.45 g/mol
Exact Mass420.18
IUPAC NameN-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESCN(C(=O)C1CC1c1cccc(C(F)(F)F)c1)C1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24F4N2O/c1-28(18-9-11-29(12-10-18)19-7-5-17(24)6-8-19)22(30)21-14-20(21)15-3-2-4-16(13-15)23(25,26)27/h2-8,13,18,20-21H,9-12,14H2,1H3
InChIKeyAJCUTPUIKXEUEP-UHFFFAOYSA-N
XLogP5.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 86933953) is N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is CN(C(=O)C1CC1c1cccc(C(F)(F)F)c1)C1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is AJCUTPUIKXEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O/c1-28(18-9-11-29(12-10-18)19-7-5-17(24)6-8-19)22(30)21-14-20(21)15-3-2-4-16(13-15)23(25,26)27/h2-8,13,18,20-21H,9-12,14H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86933953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).