benzyl 3-thiophen-2-ylpiperazine-1-carboxylate

C16H18N2O2S — CID 16740598

IUPACbenzyl 3-thiophen-2-ylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCNC(c2cccs2)C1
InChIInChI=1S/C16H18N2O2S/c19-16(20-12-13-5-2-1-3-6-13)18-9-8-17-14(11-18)15-7-4-10-21-15/h1-7,10,14,17H,8-9,11-12H2
InChIKeyZITAZXLOGAHOMG-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.03
Rot. Bonds3

About benzyl 3-thiophen-2-ylpiperazine-1-carboxylate

benzyl 3-thiophen-2-ylpiperazine-1-carboxylate (PubChem CID 16740598) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is benzyl 3-thiophen-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-thiophen-2-ylpiperazine-1-carboxylate
PubChem CID16740598
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Namebenzyl 3-thiophen-2-ylpiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCNC(c2cccs2)C1
InChIInChI=1S/C16H18N2O2S/c19-16(20-12-13-5-2-1-3-6-13)18-9-8-17-14(11-18)15-7-4-10-21-15/h1-7,10,14,17H,8-9,11-12H2
InChIKeyZITAZXLOGAHOMG-UHFFFAOYSA-N
XLogP3.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bis-N-[(S)-2-(thien-2-ylmethoxycarbonylamino)-3-phenylpropyl]ethylamine
CID 46883436
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-thiophen-2-ylethyl]piperazine
CID 44358247
Benzyl 9-(thiophen-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 134806872
benzyl (2R,3S)-4-methylene-2-(thiophen-2-yl)-3-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 145453127
N1-(3-(2-phenylmorpholino)propyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 16893048
N1-(2-oxo-2-(2-phenylmorpholino)ethyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 16894948
(R)-4-[2-(N-thenylcarbamoylcarbonylamino)acetyl]-2-phenylmorpholine
CID 30851183
N-thenyl-(S)-3-[(benzyloxy)methyl]-1-piperidinecarboxamide
CID 52314522
2-(2-oxo-5-phenyl-1,3-oxazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 53180385
Benzyl (2-oxo-2-((2-(thiophen-3-yl)benzyl)amino)ethyl)carbamate
CID 76149297
benzyl 5-butyl-3-thiophen-2-yl-3H-1,2-oxazole-2-carboxylate
CID 44254999
benzyl N-[2-[methyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]-2-oxoethyl]carbamate
CID 71876382

Frequently Asked Questions

What is the IUPAC name of benzyl 3-thiophen-2-ylpiperazine-1-carboxylate?
The IUPAC name of benzyl 3-thiophen-2-ylpiperazine-1-carboxylate (CID 16740598) is benzyl 3-thiophen-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for benzyl 3-thiophen-2-ylpiperazine-1-carboxylate?
The canonical SMILES for benzyl 3-thiophen-2-ylpiperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCNC(c2cccs2)C1.
What is the InChIKey of benzyl 3-thiophen-2-ylpiperazine-1-carboxylate?
The InChIKey is ZITAZXLOGAHOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(20-12-13-5-2-1-3-6-13)18-9-8-17-14(11-18)15-7-4-10-21-15/h1-7,10,14,17H,8-9,11-12H2.
What are the key properties of benzyl 3-thiophen-2-ylpiperazine-1-carboxylate?
benzyl 3-thiophen-2-ylpiperazine-1-carboxylate has a molecular weight of 302.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-thiophen-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 16740598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).