N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C25H23F3N4O2 — CID 129032656

IUPACN-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccco1
InChIInChI=1S/C25H23F3N4O2/c26-25(27,28)18-7-8-22(21(14-18)30-24(33)23-6-3-13-34-23)32-11-9-31(10-12-32)16-17-15-29-20-5-2-1-4-19(17)20/h1-8,13-15,29H,9-12,16H2,(H,30,33)
InChIKeyFFLVVHKDKKCYLU-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.35
Rot. Bonds5

About N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 129032656) has the molecular formula C25H23F3N4O2 and a molecular weight of 468.48 g/mol. Its IUPAC name is N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID129032656
Molecular FormulaC25H23F3N4O2
Molecular Weight468.48 g/mol
Exact Mass468.18
IUPAC NameN-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccco1
InChIInChI=1S/C25H23F3N4O2/c26-25(27,28)18-7-8-22(21(14-18)30-24(33)23-6-3-13-34-23)32-11-9-31(10-12-32)16-17-15-29-20-5-2-1-4-19(17)20/h1-8,13-15,29H,9-12,16H2,(H,30,33)
InChIKeyFFLVVHKDKKCYLU-UHFFFAOYSA-N
XLogP5.35
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 129032652
N-[2-[4-(furan-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 129032643
N-[4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butyl]furan-2-carboxamide
CID 46820133
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
CID 79530106
N-(5-fluoro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 113092678
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 129032603
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 129032619
N-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 24546026
N-[2-piperazin-1-yl-5-(trifluoromethyl)phenyl]isoquinoline-1-carboxamide
CID 161309658
N-[2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-5-pyridin-4-ylfuran-2-carboxamide
CID 129032608
N-[2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]pyrimidine-2-carboxamide
CID 129032655
2-(1H-indol-3-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 31203028

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 129032656) is N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCN(Cc2c[nH]c3ccccc23)CC1)c1ccco1.
What is the InChIKey of N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is FFLVVHKDKKCYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2/c26-25(27,28)18-7-8-22(21(14-18)30-24(33)23-6-3-13-34-23)32-11-9-31(10-12-32)16-17-15-29-20-5-2-1-4-19(17)20/h1-8,13-15,29H,9-12,16H2,(H,30,33).
What are the key properties of N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 468.48 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 129032656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).