(4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

C15H25ClN2OS — CID 119578288

IUPAC(4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCCc1sc(C(=O)N2CCNC(C)C2)cc1CC.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-4-6-13-12(5-2)9-14(19-13)15(18)17-8-7-16-11(3)10-17;/h9,11,16H,4-8,10H2,1-3H3;1H
InChIKeyLQPYXYSBBZXKCJ-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.12
Rot. Bonds4

About (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride

(4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119578288) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119578288
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC Name(4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCCCc1sc(C(=O)N2CCNC(C)C2)cc1CC.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-4-6-13-12(5-2)9-14(19-13)15(18)17-8-7-16-11(3)10-17;/h9,11,16H,4-8,10H2,1-3H3;1H
InChIKeyLQPYXYSBBZXKCJ-UHFFFAOYSA-N
XLogP3.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877318
(3,4-dihydroxypyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 106671501
(3R,4R)-4-cyclopropyl-1-(4-ethyl-5-propylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978774
[(3R)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 105056306
[(3S)-3-methylpiperazin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 102612004
(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 155572084
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 120814485
ethyl 1-(4-ethyl-5-propylthiophene-2-carbonyl)piperidine-4-carboxylate
CID 51109948
(4-ethyl-5-propylthiophen-2-yl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777539
1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372038
6-(4-ethyl-5-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175108
[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 134021901

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119578288) is (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is CCCc1sc(C(=O)N2CCNC(C)C2)cc1CC.Cl.
What is the InChIKey of (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is LQPYXYSBBZXKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-4-6-13-12(5-2)9-14(19-13)15(18)17-8-7-16-11(3)10-17;/h9,11,16H,4-8,10H2,1-3H3;1H.
What are the key properties of (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride?
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-propylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119578288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).