1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

C12H19N3OS — CID 115177853

IUPAC1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
SMILESCN1CCNCC1C(=O)NCCc1cccs1
InChIInChI=1S/C12H19N3OS/c1-15-7-6-13-9-11(15)12(16)14-5-4-10-3-2-8-17-10/h2-3,8,11,13H,4-7,9H2,1H3,(H,14,16)
InChIKeySBZFBTLIGZPERY-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.31
Rot. Bonds4

About 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide (PubChem CID 115177853) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
PubChem CID115177853
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
SMILESCN1CCNCC1C(=O)NCCc1cccs1
InChIInChI=1S/C12H19N3OS/c1-15-7-6-13-9-11(15)12(16)14-5-4-10-3-2-8-17-10/h2-3,8,11,13H,4-7,9H2,1H3,(H,14,16)
InChIKeySBZFBTLIGZPERY-UHFFFAOYSA-N
XLogP0.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 115177787
3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 114278796
4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115178054
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813
(3R,4aR,8aS)-6-methyl-N-(2-thiophen-2-ylethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366438
1-(2-phenylacetyl)-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 47719268
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
1-[(5-methylfuran-2-yl)methyl]-N-(2-thiophen-2-ylethyl)aziridine-2-carboxamide
CID 3496264
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
2-amino-N-(2-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64816964

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide (CID 115177853) is 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide is CN1CCNCC1C(=O)NCCc1cccs1.
What is the InChIKey of 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
The InChIKey is SBZFBTLIGZPERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15-7-6-13-9-11(15)12(16)14-5-4-10-3-2-8-17-10/h2-3,8,11,13H,4-7,9H2,1H3,(H,14,16).
What are the key properties of 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 115177853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).