N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide

C24H23F2N3O3 — CID 46429322

IUPACN-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccoc1
InChIInChI=1S/C24H23F2N3O3/c25-20-5-1-17(2-6-20)23(18-3-7-21(26)8-4-18)29-12-10-28(11-13-29)22(30)15-27-24(31)19-9-14-32-16-19/h1-9,14,16,23H,10-13,15H2,(H,27,31)
InChIKeySTYJJNFYDVAFNK-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.22
Rot. Bonds6

About N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide

N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide (PubChem CID 46429322) has the molecular formula C24H23F2N3O3 and a molecular weight of 439.46 g/mol. Its IUPAC name is N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
PubChem CID46429322
Molecular FormulaC24H23F2N3O3
Molecular Weight439.46 g/mol
Exact Mass439.17
IUPAC NameN-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccoc1
InChIInChI=1S/C24H23F2N3O3/c25-20-5-1-17(2-6-20)23(18-3-7-21(26)8-4-18)29-12-10-28(11-13-29)22(30)15-27-24(31)19-9-14-32-16-19/h1-9,14,16,23H,10-13,15H2,(H,27,31)
InChIKeySTYJJNFYDVAFNK-UHFFFAOYSA-N
XLogP3.22
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55650509
N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 55816213
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31605288
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 29263072
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
N-[2-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55949190
N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide
CID 55656853
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119830290
1-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 46099721
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 46100709
tert-butyl N-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 29218414

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide (CID 46429322) is N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide is O=C(NCC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccoc1.
What is the InChIKey of N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is STYJJNFYDVAFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O3/c25-20-5-1-17(2-6-20)23(18-3-7-21(26)8-4-18)29-12-10-28(11-13-29)22(30)15-27-24(31)19-9-14-32-16-19/h1-9,14,16,23H,10-13,15H2,(H,27,31).
What are the key properties of N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide?
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 46429322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).