N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide

C23H23N3O4 — CID 46407153

IUPACN-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(OCC(=O)N2CCN(c3ccccc3)CC2)c1)c1ccco1
InChIInChI=1S/C23H23N3O4/c27-22(26-13-11-25(12-14-26)19-7-2-1-3-8-19)17-30-20-9-4-6-18(16-20)24-23(28)21-10-5-15-29-21/h1-10,15-16H,11-14,17H2,(H,24,28)
InChIKeyIFTUWAMFHODRIS-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.26
Rot. Bonds6

About N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide

N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide (PubChem CID 46407153) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
PubChem CID46407153
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(OCC(=O)N2CCN(c3ccccc3)CC2)c1)c1ccco1
InChIInChI=1S/C23H23N3O4/c27-22(26-13-11-25(12-14-26)19-7-2-1-3-8-19)17-30-20-9-4-6-18(16-20)24-23(28)21-10-5-15-29-21/h1-10,15-16H,11-14,17H2,(H,24,28)
InChIKeyIFTUWAMFHODRIS-UHFFFAOYSA-N
XLogP3.26
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174620
1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 119354069
2-[1-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]piperidin-4-yl]acetic acid
CID 119178015
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-4-phenylpiperazine-1-carboxamide
CID 35668689
N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55953436
N-[3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55961197
N-[3-[2-oxo-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]ethoxy]phenyl]furan-2-carboxamide
CID 55855668
(3aS,6aR)-2-[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681885
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(furan-2-carbonylamino)acetate
CID 7824676
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676823
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide (CID 46407153) is N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide is O=C(Nc1cccc(OCC(=O)N2CCN(c3ccccc3)CC2)c1)c1ccco1.
What is the InChIKey of N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide?
The InChIKey is IFTUWAMFHODRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-22(26-13-11-25(12-14-26)19-7-2-1-3-8-19)17-30-20-9-4-6-18(16-20)24-23(28)21-10-5-15-29-21/h1-10,15-16H,11-14,17H2,(H,24,28).
What are the key properties of N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46407153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).