methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate

C11H16N2O2S — CID 110709201

IUPACmethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H16N2O2S/c1-15-11(14)13-6-4-12(5-7-13)9-10-3-2-8-16-10/h2-3,8H,4-7,9H2,1H3
InChIKeyQEXSZVJJJSPLNT-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.63
Rot. Bonds2

About methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate

methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate (PubChem CID 110709201) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
PubChem CID110709201
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Namemethyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H16N2O2S/c1-15-11(14)13-6-4-12(5-7-13)9-10-3-2-8-16-10/h2-3,8H,4-7,9H2,1H3
InChIKeyQEXSZVJJJSPLNT-UHFFFAOYSA-N
XLogP1.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]butanoate
CID 110709188
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
N-(3-methoxypropyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185583
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 93368060
N-pentan-3-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 134001749
3-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869397
(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801873
(2S)-2-amino-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119834130
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
2-(butan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671567

Frequently Asked Questions

What is the IUPAC name of methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate (CID 110709201) is methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate is COC(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
The InChIKey is QEXSZVJJJSPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-15-11(14)13-6-4-12(5-7-13)9-10-3-2-8-16-10/h2-3,8H,4-7,9H2,1H3.
What are the key properties of methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate?
methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(thiophen-2-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 110709201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).