2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

C21H23N5O2S — CID 26393409

IUPAC2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H23N5O2S/c27-20(23-14-16-4-6-17(7-5-16)26-10-2-8-24-26)13-19-21(28)22-9-11-25(19)15-18-3-1-12-29-18/h1-8,10,12,19H,9,11,13-15H2,(H,22,28)(H,23,27)/t19-/m1/s1
InChIKeyDXODZONJQFDUBK-LJQANCHMSA-N
MW409.52 g/mol
LogP1.94
Rot. Bonds7

About 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide

2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 26393409) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID26393409
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H23N5O2S/c27-20(23-14-16-4-6-17(7-5-16)26-10-2-8-24-26)13-19-21(28)22-9-11-25(19)15-18-3-1-12-29-18/h1-8,10,12,19H,9,11,13-15H2,(H,22,28)(H,23,27)/t19-/m1/s1
InChIKeyDXODZONJQFDUBK-LJQANCHMSA-N
XLogP1.94
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 95714026
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2S)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 95728501
N-[2-(3-chlorophenyl)ethyl]-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 45218563
2-[3-oxo-1-(pyridin-3-ylmethyl)piperazin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 45192808
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetamide
CID 42308103
ethyl 4-[[2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 45220056
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
N-[(4-chlorophenyl)methyl]-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45209913
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45178129
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide
CID 26328913
N-[(4-chlorophenyl)methyl]-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45187128
N-ethyl-2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-pentan-3-ylacetamide
CID 56900851

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide (CID 26393409) is 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is O=C(C[C@@H]1C(=O)NCCN1Cc1cccs1)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is DXODZONJQFDUBK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N5O2S/c27-20(23-14-16-4-6-17(7-5-16)26-10-2-8-24-26)13-19-21(28)22-9-11-25(19)15-18-3-1-12-29-18/h1-8,10,12,19H,9,11,13-15H2,(H,22,28)(H,23,27)/t19-/m1/s1.
What are the key properties of 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide?
2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 409.52 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 26393409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).