N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide

C19H26N5O+ — CID 8542339

IUPACN-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)C[NH+]2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5O/c1-16-4-6-17(7-5-16)14-22(2)18(25)15-23-10-12-24(13-11-23)19-20-8-3-9-21-19/h3-9H,10-15H2,1-2H3/p+1
InChIKeyISGRJHJEJJPCRA-UHFFFAOYSA-O
MW340.45 g/mol
LogP0.15
Rot. Bonds5

About N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide

N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide (PubChem CID 8542339) has the molecular formula C19H26N5O+ and a molecular weight of 340.45 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
PubChem CID8542339
Molecular FormulaC19H26N5O+
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
SMILESCc1ccc(CN(C)C(=O)C[NH+]2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5O/c1-16-4-6-17(7-5-16)14-22(2)18(25)15-23-10-12-24(13-11-23)19-20-8-3-9-21-19/h3-9H,10-15H2,1-2H3/p+1
InChIKeyISGRJHJEJJPCRA-UHFFFAOYSA-O
XLogP0.15
TPSA53.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 7874412
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8595564
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-benzyl-N-methylacetamide
CID 8591672
N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 2112597
N-[(4-ethoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide
CID 8587240
N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542693
N-[4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]acetamide
CID 7446364
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide
CID 8528777
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 8597079
N-benzyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975526
(3S)-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305006
N-(3,4-dimethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542754

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide (CID 8542339) is N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide is Cc1ccc(CN(C)C(=O)C[NH+]2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is ISGRJHJEJJPCRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25N5O/c1-16-4-6-17(7-5-16)14-22(2)18(25)15-23-10-12-24(13-11-23)19-20-8-3-9-21-19/h3-9H,10-15H2,1-2H3/p+1.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide?
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 8542339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).