2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile

C25H23N3O4 — CID 86953039

IUPAC2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)o1
InChIInChI=1S/C25H23N3O4/c1-18-9-10-23(32-18)25(30)28-13-11-27(12-14-28)24(29)20-7-4-5-19(15-20)17-31-22-8-3-2-6-21(22)16-26/h2-10,15H,11-14,17H2,1H3
InChIKeyGGCFEBMCNWHNCR-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.64
Rot. Bonds5

About 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile

2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile (PubChem CID 86953039) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile
PubChem CID86953039
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile
SMILESCc1ccc(C(=O)N2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)o1
InChIInChI=1S/C25H23N3O4/c1-18-9-10-23(32-18)25(30)28-13-11-27(12-14-28)24(29)20-7-4-5-19(15-20)17-31-22-8-3-2-6-21(22)16-26/h2-10,15H,11-14,17H2,1H3
InChIKeyGGCFEBMCNWHNCR-UHFFFAOYSA-N
XLogP3.64
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 55829905
3-[(2-cyanophenoxy)methyl]benzoic acid
CID 24708246
2-[[5-(azepane-1-carbonyl)furan-2-yl]methoxy]benzonitrile
CID 47051145
2-[[5-[4-(2-cyanophenyl)sulfonylpiperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 55834847
3-[(2-cyanophenoxy)methyl]benzohydrazide
CID 63575853
5-fluoro-2-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]benzonitrile
CID 71996595
[3-[(2-methoxyphenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325253
(4-benzylpiperazin-1-yl)-[3-[(2-chlorophenoxy)methyl]phenyl]methanone
CID 19289215
[3-[(2-nitrophenoxy)methyl]phenyl]-piperidin-1-ylmethanone
CID 47061595
4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 111425141
2-[[5-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 55834850
[3-[(2,4-difluorophenoxy)methyl]phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19327246

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile?
The IUPAC name of 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile (CID 86953039) is 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile.
What is the SMILES notation for 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile?
The canonical SMILES for 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile is Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(COc4ccccc4C#N)c3)CC2)o1.
What is the InChIKey of 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile?
The InChIKey is GGCFEBMCNWHNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-18-9-10-23(32-18)25(30)28-13-11-27(12-14-28)24(29)20-7-4-5-19(15-20)17-31-22-8-3-2-6-21(22)16-26/h2-10,15H,11-14,17H2,1H3.
What are the key properties of 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile?
2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile has a molecular weight of 429.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(5-methylfuran-2-carbonyl)piperazine-1-carbonyl]phenyl]methoxy]benzonitrile is sourced from PubChem (CID 86953039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).