N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide

C16H22N5OS+ — CID 7874412

IUPACN-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)C[NH+]1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H21N5OS/c1-19(12-14-4-2-11-23-14)15(22)13-20-7-9-21(10-8-20)16-17-5-3-6-18-16/h2-6,11H,7-10,12-13H2,1H3/p+1
InChIKeyRMXCLROMCYHECE-UHFFFAOYSA-O
MW332.45 g/mol
LogP-0.10
Rot. Bonds5

About N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 7874412) has the molecular formula C16H22N5OS+ and a molecular weight of 332.45 g/mol. Its IUPAC name is N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID7874412
Molecular FormulaC16H22N5OS+
Molecular Weight332.45 g/mol
Exact Mass332.15
IUPAC NameN-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)C[NH+]1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H21N5OS/c1-19(12-14-4-2-11-23-14)15(22)13-20-7-9-21(10-8-20)16-17-5-3-6-18-16/h2-6,11H,7-10,12-13H2,1H3/p+1
InChIKeyRMXCLROMCYHECE-UHFFFAOYSA-O
XLogP-0.10
TPSA53.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542339
N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 25342931
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8595564
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-methyl-2-[2-(morpholin-4-ylmethyl)imidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 126837087
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123597
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyrimidine
CID 6936919
2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 61374959

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 7874412) is N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)C[NH+]1CCN(c2ncccn2)CC1.
What is the InChIKey of N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is RMXCLROMCYHECE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N5OS/c1-19(12-14-4-2-11-23-14)15(22)13-20-7-9-21(10-8-20)16-17-5-3-6-18-16/h2-6,11H,7-10,12-13H2,1H3/p+1.
What are the key properties of N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 332.45 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 7874412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).