N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C24H28F4N4O2 — CID 60592531

IUPACN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(NCC(c1cccc(F)c1)N1CCOCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H28F4N4O2/c25-20-5-1-3-18(15-20)22(31-11-13-34-14-12-31)17-29-23(33)32-9-7-30(8-10-32)21-6-2-4-19(16-21)24(26,27)28/h1-6,15-16,22H,7-14,17H2,(H,29,33)
InChIKeyNSLZMAGAOMZTDN-UHFFFAOYSA-N
MW480.51 g/mol
LogP3.75
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 60592531) has the molecular formula C24H28F4N4O2 and a molecular weight of 480.51 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID60592531
Molecular FormulaC24H28F4N4O2
Molecular Weight480.51 g/mol
Exact Mass480.21
IUPAC NameN-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(NCC(c1cccc(F)c1)N1CCOCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H28F4N4O2/c25-20-5-1-3-18(15-20)22(31-11-13-34-14-12-31)17-29-23(33)32-9-7-30(8-10-32)21-6-2-4-19(16-21)24(26,27)28/h1-6,15-16,22H,7-14,17H2,(H,29,33)
InChIKeyNSLZMAGAOMZTDN-UHFFFAOYSA-N
XLogP3.75
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 60592666
N-[2-(3-fluorophenoxy)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38336448
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8504243
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 31383033
1-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865951
1-(3-fluorophenyl)-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 52833946
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
N-(3,3-dimethylbutyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38332211
2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
CID 54775900
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]oxolan-2-yl]methyl]morpholine-4-carboxamide;dihydrochloride
CID 146118760
7-amino-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119865953

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 60592531) is N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is O=C(NCC(c1cccc(F)c1)N1CCOCC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is NSLZMAGAOMZTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O2/c25-20-5-1-3-18(15-20)22(31-11-13-34-14-12-31)17-29-23(33)32-9-7-30(8-10-32)21-6-2-4-19(16-21)24(26,27)28/h1-6,15-16,22H,7-14,17H2,(H,29,33).
What are the key properties of N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 60592531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).