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

C12H19N3OS — CID 115178054

IUPAC4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
SMILESCN1CCNC(C(=O)NCCc2cccs2)C1
InChIInChI=1S/C12H19N3OS/c1-15-7-6-13-11(9-15)12(16)14-5-4-10-3-2-8-17-10/h2-3,8,11,13H,4-7,9H2,1H3,(H,14,16)
InChIKeyQUUMFDNXAUKOKD-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.31
Rot. Bonds4

About 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide

4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide (PubChem CID 115178054) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
PubChem CID115178054
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
SMILESCN1CCNC(C(=O)NCCc2cccs2)C1
InChIInChI=1S/C12H19N3OS/c1-15-7-6-13-11(9-15)12(16)14-5-4-10-3-2-8-17-10/h2-3,8,11,13H,4-7,9H2,1H3,(H,14,16)
InChIKeyQUUMFDNXAUKOKD-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-(2-thiophen-2-ylethyl)piperazine-2-carboxamide
CID 115177853
(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
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270428
1-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119931023
N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-methylpiperazine-2-carboxamide
CID 155273686
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 59684905
3-methyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 114278796
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
(2S)-N-[[(3R)-1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649493
4-(thiophene-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 121496273
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 79527612
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
The IUPAC name of 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide (CID 115178054) is 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
The canonical SMILES for 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide is CN1CCNC(C(=O)NCCc2cccs2)C1.
What is the InChIKey of 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
The InChIKey is QUUMFDNXAUKOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-15-7-6-13-11(9-15)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 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide?
4-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 4-methyl-N-(2-thiophen-2-ylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 115178054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).