[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone

C19H22N2O3S — CID 110801953

IUPAC[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCCc1ccc(OC)c(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H22N2O3S/c1-3-14-6-7-16(24-2)15(13-14)18(22)20-8-10-21(11-9-20)19(23)17-5-4-12-25-17/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyAQJLRRRNRPJOGW-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.92
Rot. Bonds4

About [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110801953) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID110801953
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCCc1ccc(OC)c(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C19H22N2O3S/c1-3-14-6-7-16(24-2)15(13-14)18(22)20-8-10-21(11-9-20)19(23)17-5-4-12-25-17/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyAQJLRRRNRPJOGW-UHFFFAOYSA-N
XLogP2.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethyl-2-methoxyphenyl)-thiophen-2-ylmethanone
CID 58753986
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 108546186
N-tert-butyl-4-(5-ethyl-2-methoxybenzoyl)piperazine-1-carboxamide
CID 110812489
cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801618
thiophen-2-yl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 29023726
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
ethyl 1-(5-ethyl-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761989
[4-(4-ethoxy-2,5-dimethylbenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110801945
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 110346788
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802544
5-ethyl-2-methoxybenzoic acid
CID 20721149
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 110801953) is [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone is CCc1ccc(OC)c(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is AQJLRRRNRPJOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-14-6-7-16(24-2)15(13-14)18(22)20-8-10-21(11-9-20)19(23)17-5-4-12-25-17/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 358.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110801953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).