N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide

C17H21N5O2S — CID 42217294

IUPACN-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1
InChIInChI=1S/C17H21N5O2S/c1-21(11-13-10-18-4-5-19-13)16(23)9-15-17(24)20-6-7-22(15)12-14-3-2-8-25-14/h2-5,8,10,15H,6-7,9,11-12H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyCXKCKZWLDPJCOY-OAHLLOKOSA-N
MW359.45 g/mol
LogP0.89
Rot. Bonds6

About N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide

N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 42217294) has the molecular formula C17H21N5O2S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID42217294
Molecular FormulaC17H21N5O2S
Molecular Weight359.45 g/mol
Exact Mass359.14
IUPAC NameN-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1
InChIInChI=1S/C17H21N5O2S/c1-21(11-13-10-18-4-5-19-13)16(23)9-15-17(24)20-6-7-22(15)12-14-3-2-8-25-14/h2-5,8,10,15H,6-7,9,11-12H2,1H3,(H,20,24)/t15-/m1/s1
InChIKeyCXKCKZWLDPJCOY-OAHLLOKOSA-N
XLogP0.89
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 45183443
N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide
CID 56900851
2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 42515124
2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45192808
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 95728501
N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45197561
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45190242
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95714026
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-[(2S)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-2-yl]acetamide
CID 95718298
ethyl 4-[[2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45220056
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylacetamide
CID 45193459
2-[(2S)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 42521563

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide (CID 42217294) is N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide is CN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCCN1Cc1cccs1.
What is the InChIKey of N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is CXKCKZWLDPJCOY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-21(11-13-10-18-4-5-19-13)16(23)9-15-17(24)20-6-7-22(15)12-14-3-2-8-25-14/h2-5,8,10,15H,6-7,9,11-12H2,1H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide?
N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 42217294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).