4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

C11H17N3OS — CID 11543233

IUPAC4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C11H17N3OS/c1-13-4-6-14(7-5-13)11(15)12-9-10-3-2-8-16-10/h2-3,8H,4-7,9H2,1H3,(H,12,15)
InChIKeyVRBWDYRNCXYGML-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.21
Rot. Bonds2

About 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide

4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 11543233) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID11543233
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C11H17N3OS/c1-13-4-6-14(7-5-13)11(15)12-9-10-3-2-8-16-10/h2-3,8H,4-7,9H2,1H3,(H,12,15)
InChIKeyVRBWDYRNCXYGML-UHFFFAOYSA-N
XLogP1.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide (CID 11543233) is 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is VRBWDYRNCXYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13-4-6-14(7-5-13)11(15)12-9-10-3-2-8-16-10/h2-3,8H,4-7,9H2,1H3,(H,12,15).
What are the key properties of 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide?
4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 11543233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).