N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide

C25H27F3N4O — CID 162787974

IUPACN-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
SMILESO=C(CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C25H27F3N4O/c26-25(27,28)20-7-5-8-22(17-20)32-14-12-31(13-15-32)11-4-3-10-24(33)30-21-16-19-6-1-2-9-23(19)29-18-21/h1-2,5-9,16-18H,3-4,10-15H2,(H,30,33)
InChIKeyZXTOYAVOALDAPA-UHFFFAOYSA-N
MW456.51 g/mol
LogP5.18
Rot. Bonds7

About N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide

N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide (PubChem CID 162787974) has the molecular formula C25H27F3N4O and a molecular weight of 456.51 g/mol. Its IUPAC name is N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide.

Molecular Properties

Compound NameN-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
PubChem CID162787974
Molecular FormulaC25H27F3N4O
Molecular Weight456.51 g/mol
Exact Mass456.21
IUPAC NameN-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
SMILESO=C(CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cnc2ccccc2c1
InChIInChI=1S/C25H27F3N4O/c26-25(27,28)20-7-5-8-22(17-20)32-14-12-31(13-15-32)11-4-3-10-24(33)30-21-16-19-6-1-2-9-23(19)29-18-21/h1-2,5-9,16-18H,3-4,10-15H2,(H,30,33)
InChIKeyZXTOYAVOALDAPA-UHFFFAOYSA-N
XLogP5.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-cyanophenyl)piperazin-1-yl]-N-quinolin-3-ylpentanamide
CID 162787940
N-(1,3-benzothiazol-2-yl)-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide
CID 122186392
4-(4-phenylpiperazin-1-yl)-N-quinolin-6-ylbutanamide
CID 45136832
1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617050
2-[4-oxo-4-(quinolin-3-ylamino)butyl]-5-(trifluoromethyl)benzamide
CID 173151952
N-(4-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 33473802
1-(1,3-dihydroisoindol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
CID 11532392
1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3841599
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-ol;hydrochloride
CID 71757707
1-(5-methyl-1,3-thiazol-2-yl)-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]urea
CID 112824707
oxalic acid;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 163332625
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565

Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide?
The IUPAC name of N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide (CID 162787974) is N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide.
What is the SMILES notation for N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide?
The canonical SMILES for N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide is O=C(CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cnc2ccccc2c1.
What is the InChIKey of N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide?
The InChIKey is ZXTOYAVOALDAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O/c26-25(27,28)20-7-5-8-22(17-20)32-14-12-31(13-15-32)11-4-3-10-24(33)30-21-16-19-6-1-2-9-23(19)29-18-21/h1-2,5-9,16-18H,3-4,10-15H2,(H,30,33).
What are the key properties of N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide?
N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide has a molecular weight of 456.51 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pentanamide is sourced from PubChem (CID 162787974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).