[5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

C21H25ClN2O2 — CID 44585595

IUPAC[5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-17-8-6-16(7-9-17)19-10-11-20(26-19)21(25)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
InChIKeyOWKCSDFZMUWPDJ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.69
Rot. Bonds3

About [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

[5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 44585595) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID44585595
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-17-8-6-16(7-9-17)19-10-11-20(26-19)21(25)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
InChIKeyOWKCSDFZMUWPDJ-UHFFFAOYSA-N
XLogP4.69
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (CID 44585595) is [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is OWKCSDFZMUWPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-17-8-6-16(7-9-17)19-10-11-20(26-19)21(25)24-14-12-23(13-15-24)18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
[5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 372.90 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 44585595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).