(4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C19H24N2O2S — CID 17217172

IUPAC(4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)csc1C
InChIInChI=1S/C19H24N2O2S/c1-4-17-14(2)24-13-18(17)19(22)21-11-9-20(10-12-21)15-5-7-16(23-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyHFYYYGYNUMCMPH-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.59
Rot. Bonds4

About (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 17217172) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID17217172
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)csc1C
InChIInChI=1S/C19H24N2O2S/c1-4-17-14(2)24-13-18(17)19(22)21-11-9-20(10-12-21)15-5-7-16(23-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3
InChIKeyHFYYYGYNUMCMPH-UHFFFAOYSA-N
XLogP3.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 4601639
(3-chlorothiophen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110856426
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[4-(4-chlorophenyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 1247359
(1,5-dimethylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51310306
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17193912
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
3-(dipropylamino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109033107
[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918046

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 17217172) is (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is CCc1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)csc1C.
What is the InChIKey of (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HFYYYGYNUMCMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-17-14(2)24-13-18(17)19(22)21-11-9-20(10-12-21)15-5-7-16(23-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17217172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).