2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide

C14H25N5O — CID 91829226

IUPAC2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
SMILESCc1cnc(CN(C)C(=O)CC2CN(C)CCN2C)[nH]1
InChIInChI=1S/C14H25N5O/c1-11-8-15-13(16-11)10-19(4)14(20)7-12-9-17(2)5-6-18(12)3/h8,12H,5-7,9-10H2,1-4H3,(H,15,16)
InChIKeyNSERNTRIMSVEDB-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.31
Rot. Bonds4

About 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide

2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide (PubChem CID 91829226) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
PubChem CID91829226
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide
SMILESCc1cnc(CN(C)C(=O)CC2CN(C)CCN2C)[nH]1
InChIInChI=1S/C14H25N5O/c1-11-8-15-13(16-11)10-19(4)14(20)7-12-9-17(2)5-6-18(12)3/h8,12H,5-7,9-10H2,1-4H3,(H,15,16)
InChIKeyNSERNTRIMSVEDB-UHFFFAOYSA-N
XLogP0.31
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide (CID 91829226) is 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide is Cc1cnc(CN(C)C(=O)CC2CN(C)CCN2C)[nH]1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
The InChIKey is NSERNTRIMSVEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-8-15-13(16-11)10-19(4)14(20)7-12-9-17(2)5-6-18(12)3/h8,12H,5-7,9-10H2,1-4H3,(H,15,16).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide?
2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 91829226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).