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

C11H17N3OS — CID 115177787

IUPAC1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
SMILESCN1CCNCC1C(=O)NCc1cccs1
InChIInChI=1S/C11H17N3OS/c1-14-5-4-12-8-10(14)11(15)13-7-9-3-2-6-16-9/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,13,15)
InChIKeyGJBMXBSJKDPMFM-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.27
Rot. Bonds3

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

1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide (PubChem CID 115177787) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
PubChem CID115177787
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
SMILESCN1CCNCC1C(=O)NCc1cccs1
InChIInChI=1S/C11H17N3OS/c1-14-5-4-12-8-10(14)11(15)13-7-9-3-2-6-16-9/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,13,15)
InChIKeyGJBMXBSJKDPMFM-UHFFFAOYSA-N
XLogP0.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.27
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
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811
(3R)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81123819
(4R,4aS,8aR)-N-(thiophen-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine-4-carboxamide;hydrochloride
CID 155852049
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177804
1-(azepan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 117235910
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
(3aR,5R,7aR)-1-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97387916
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
(2R)-1-N-(4-fluorophenyl)-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468558
(2R)-1-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468489

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide (CID 115177787) is 1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide is CN1CCNCC1C(=O)NCc1cccs1.
What is the InChIKey of 1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide?
The InChIKey is GJBMXBSJKDPMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14-5-4-12-8-10(14)11(15)13-7-9-3-2-6-16-9/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,13,15).
What are the key properties of 1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide?
1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 115177787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).