(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide

C16H21N5OS — CID 27104700

IUPAC(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@H](C(=O)NCc1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H21N5OS/c1-13(15(22)19-12-14-4-2-11-23-14)20-7-9-21(10-8-20)16-17-5-3-6-18-16/h2-6,11,13H,7-10,12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyGTMOGVIQKBZODE-CYBMUJFWSA-N
MW331.44 g/mol
LogP1.37
Rot. Bonds5

About (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide

(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 27104700) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID27104700
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@H](C(=O)NCc1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H21N5OS/c1-13(15(22)19-12-14-4-2-11-23-14)20-7-9-21(10-8-20)16-17-5-3-6-18-16/h2-6,11,13H,7-10,12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyGTMOGVIQKBZODE-CYBMUJFWSA-N
XLogP1.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445607
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9460133
(2R)-2-(4-methylpiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 9444129
(2S)-2-(4-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 27070191
(2S)-2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 26300667
(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 30740454
2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 60513034
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 17447413
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445447
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 111543644
(2R)-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 9493517

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 27104700) is (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide is C[C@H](C(=O)NCc1cccs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is GTMOGVIQKBZODE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-13(15(22)19-12-14-4-2-11-23-14)20-7-9-21(10-8-20)16-17-5-3-6-18-16/h2-6,11,13H,7-10,12H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide?
(2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 331.44 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 27104700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).