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

C21H24Cl2N2O2 — CID 44585642

IUPAC(4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H24Cl2N2O2/c22-15-6-7-17(18(23)14-15)19-8-9-20(27-19)21(26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2
InChIKeyOALCCLBOHKJKFS-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.34
Rot. Bonds3

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

(4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone (PubChem CID 44585642) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone
PubChem CID44585642
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name(4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H24Cl2N2O2/c22-15-6-7-17(18(23)14-15)19-8-9-20(27-19)21(26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2
InChIKeyOALCCLBOHKJKFS-UHFFFAOYSA-N
XLogP5.34
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 44585641
[5-(2,4-dichlorophenyl)furan-2-yl]-piperidin-1-ylmethanethione
CID 746381
[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 8530152
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 11514393
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
(1S,9S)-11-[5-(2,4-dichlorophenyl)furan-2-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98184544
[5-(4-chloro-2-methylphenyl)furan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 94076411
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
(3S)-1-[5-(2-chlorophenyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 119113435
[5-(4-amino-2-chlorophenyl)furan-2-yl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 100804507

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone (CID 44585642) is (4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone is O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone?
The InChIKey is OALCCLBOHKJKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c22-15-6-7-17(18(23)14-15)19-8-9-20(27-19)21(26)25-12-10-24(11-13-25)16-4-2-1-3-5-16/h6-9,14,16H,1-5,10-13H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone?
(4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone has a molecular weight of 407.34 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone is sourced from PubChem (CID 44585642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).