[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

C20H19ClN2O2S — CID 37399531

IUPAC[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1
InChIInChI=1S/C20H19ClN2O2S/c21-16-4-1-3-15(13-16)19-7-6-17(26-19)14-22-8-10-23(11-9-22)20(24)18-5-2-12-25-18/h1-7,12-13H,8-11,14H2
InChIKeySWGFQOVJJXUSBW-UHFFFAOYSA-N
MW386.90 g/mol
LogP4.62
Rot. Bonds4

About [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 37399531) has the molecular formula C20H19ClN2O2S and a molecular weight of 386.90 g/mol. Its IUPAC name is [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID37399531
Molecular FormulaC20H19ClN2O2S
Molecular Weight386.90 g/mol
Exact Mass386.09
IUPAC Name[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1
InChIInChI=1S/C20H19ClN2O2S/c21-16-4-1-3-15(13-16)19-7-6-17(26-19)14-22-8-10-23(11-9-22)20(24)18-5-2-12-25-18/h1-7,12-13H,8-11,14H2
InChIKeySWGFQOVJJXUSBW-UHFFFAOYSA-N
XLogP4.62
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399827
[4-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42692102
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 112845378
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 37399558
methyl 5-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]pyridine-2-carboxylate
CID 112818778
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one
CID 138992210
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 37399738
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-3-yl]methanone
CID 43043371
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 37399745
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
1-[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43062593

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 37399531) is [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2ccc(-c3cccc(Cl)c3)s2)CC1.
What is the InChIKey of [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is SWGFQOVJJXUSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2S/c21-16-4-1-3-15(13-16)19-7-6-17(26-19)14-22-8-10-23(11-9-22)20(24)18-5-2-12-25-18/h1-7,12-13H,8-11,14H2.
What are the key properties of [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 386.90 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 37399531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).