ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

C19H29N3O3S — CID 86854578

IUPACethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCN(C3CC3)CC2)sc(C)c1CC
InChIInChI=1S/C19H29N3O3S/c1-4-15-13(3)26-18(17(15)19(24)25-5-2)20-16(23)12-21-8-10-22(11-9-21)14-6-7-14/h14H,4-12H2,1-3H3,(H,20,23)
InChIKeyDHFGZLYLOZJHJF-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.51
Rot. Bonds7

About ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate

ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (PubChem CID 86854578) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
PubChem CID86854578
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Nameethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCN(C3CC3)CC2)sc(C)c1CC
InChIInChI=1S/C19H29N3O3S/c1-4-15-13(3)26-18(17(15)19(24)25-5-2)20-16(23)12-21-8-10-22(11-9-21)14-6-7-14/h14H,4-12H2,1-3H3,(H,20,23)
InChIKeyDHFGZLYLOZJHJF-UHFFFAOYSA-N
XLogP2.51
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[2-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]acetyl]amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate
CID 51109311
ethyl 2-[(2-bromoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 60651187
methyl 2-[[2-(3,5-dimethylpiperidin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate
CID 22197992
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate;oxalic acid
CID 45042437
ethyl 4-ethyl-5-methyl-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 7557987
ethyl 2-(3-aminopropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119264652
diethyl 5-[[2-[4-(2-adamantyl)piperazin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 17276194
methyl 4-ethyl-5-methyl-2-[[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22199783
ethyl 5-carbamoyl-4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 17379662
ethyl 4-ethyl-2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
CID 55304259
ethyl 4-ethyl-5-methyl-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate;hydrochloride
CID 119677212
ethyl 2-(3-aminobutanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate;hydrochloride
CID 119677230

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate (CID 86854578) is ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2CCN(C3CC3)CC2)sc(C)c1CC.
What is the InChIKey of ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The InChIKey is DHFGZLYLOZJHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-4-15-13(3)26-18(17(15)19(24)25-5-2)20-16(23)12-21-8-10-22(11-9-21)14-6-7-14/h14H,4-12H2,1-3H3,(H,20,23).
What are the key properties of ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate?
ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate has a molecular weight of 379.53 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-cyclopropylpiperazin-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 86854578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).