[4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone

C25H25ClN2O3 — CID 95754485

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone
SMILESC=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C25H25ClN2O3/c1-2-5-19-6-3-4-7-23(19)30-18-22-12-13-24(31-22)25(29)28-16-14-27(15-17-28)21-10-8-20(26)9-11-21/h2-4,6-13H,1,5,14-18H2
InChIKeyOSSDUJGRKZSQKL-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.20
Rot. Bonds7

About [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone

[4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone (PubChem CID 95754485) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone
PubChem CID95754485
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone
SMILESC=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)o1
InChIInChI=1S/C25H25ClN2O3/c1-2-5-19-6-3-4-7-23(19)30-18-22-12-13-24(31-22)25(29)28-16-14-27(15-17-28)21-10-8-20(26)9-11-21/h2-4,6-13H,1,5,14-18H2
InChIKeyOSSDUJGRKZSQKL-UHFFFAOYSA-N
XLogP5.20
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone
CID 19323614
tert-butyl 4-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-carbonyl]-1,4-diazepane-1-carboxylate
CID 95752559
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone
CID 19325286
N-(cyclopropylmethyl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 95756196
N-phenyl-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19448799
[5-[(2-chlorophenoxy)methyl]furan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1224869
[5-[(4-chlorophenyl)sulfinylmethyl]furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20859513
[5-[(2-methylphenoxy)methyl]furan-2-yl]-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749746
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55334172
N-(1-benzylpyrazol-3-yl)-5-[(2-prop-2-enylphenoxy)methyl]furan-2-carboxamide
CID 19286216
2-[[5-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 55834850
[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325652

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone (CID 95754485) is [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone is C=CCc1ccccc1OCc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)o1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone?
The InChIKey is OSSDUJGRKZSQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-2-5-19-6-3-4-7-23(19)30-18-22-12-13-24(31-22)25(29)28-16-14-27(15-17-28)21-10-8-20(26)9-11-21/h2-4,6-13H,1,5,14-18H2.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone?
[4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone has a molecular weight of 436.94 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-[5-[(2-prop-2-enylphenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 95754485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).