2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide

C17H27N4O2+ — CID 8725268

IUPAC2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)C[NH+]1CCN(c2ccccc2C)CC1
InChIInChI=1S/C17H26N4O2/c1-3-8-18-17(23)19-16(22)13-20-9-11-21(12-10-20)15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H2,18,19,22,23)/p+1
InChIKeyDVKLMASDOVRORT-UHFFFAOYSA-O
MW319.43 g/mol
LogP-0.06
Rot. Bonds5

About 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide

2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 8725268) has the molecular formula C17H27N4O2+ and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID8725268
Molecular FormulaC17H27N4O2+
Molecular Weight319.43 g/mol
Exact Mass319.21
IUPAC Name2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)C[NH+]1CCN(c2ccccc2C)CC1
InChIInChI=1S/C17H26N4O2/c1-3-8-18-17(23)19-16(22)13-20-9-11-21(12-10-20)15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H2,18,19,22,23)/p+1
InChIKeyDVKLMASDOVRORT-UHFFFAOYSA-O
XLogP-0.06
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582982
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582796
N-(butylcarbamoyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8619861
2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8726255
N-[[(2R)-butan-2-yl]carbamoyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8528792
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 8528487
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8687005
N-(cyclopentylcarbamoyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8582654
2-(azepan-1-ium-1-yl)-N-(propylcarbamoyl)acetamide
CID 8895762
2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 8591211
2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 8726538
propyl 4-[[2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8725016

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide (CID 8725268) is 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)C[NH+]1CCN(c2ccccc2C)CC1.
What is the InChIKey of 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is DVKLMASDOVRORT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H26N4O2/c1-3-8-18-17(23)19-16(22)13-20-9-11-21(12-10-20)15-7-5-4-6-14(15)2/h4-7H,3,8-13H2,1-2H3,(H2,18,19,22,23)/p+1.
What are the key properties of 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide?
2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 319.43 g/mol, XLogP of -0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 8725268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).