[5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

C21H25ClN2O2 — CID 44585641

IUPAC[5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-17-6-4-5-16(15-17)19-9-10-20(26-19)21(25)24-13-11-23(12-14-24)18-7-2-1-3-8-18/h4-6,9-10,15,18H,1-3,7-8,11-14H2
InChIKeyGANOILNBYLACOO-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.69
Rot. Bonds3

About [5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

[5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 44585641) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is [5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID44585641
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name[5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C21H25ClN2O2/c22-17-6-4-5-16(15-17)19-9-10-20(26-19)21(25)24-13-11-23(12-14-24)18-7-2-1-3-8-18/h4-6,9-10,15,18H,1-3,7-8,11-14H2
InChIKeyGANOILNBYLACOO-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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Related Compounds

(4-cyclohexylpiperazin-1-yl)-[5-(2,4-dichlorophenyl)furan-2-yl]methanone
CID 44585642
[5-(3-chlorophenyl)furan-2-yl]-piperidin-1-ylmethanethione
CID 741694
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanone
CID 9146078
(4-cyclohexylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573953
cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 166208842
(5-chloro-1-benzofuran-2-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 86853618
[5-(2-chlorophenyl)furan-2-yl]-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]methanone
CID 8530152
(5-chlorofuran-2-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 113226423
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 8530163
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117874
(3-chlorophenyl)-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 3824852

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (CID 44585641) is [5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone is O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of [5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is GANOILNBYLACOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c22-17-6-4-5-16(15-17)19-9-10-20(26-19)21(25)24-13-11-23(12-14-24)18-7-2-1-3-8-18/h4-6,9-10,15,18H,1-3,7-8,11-14H2.
What are the key properties of [5-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
[5-(3-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-(3-chlorophenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 44585641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).