2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide

C15H22N4O3 — CID 120753930

IUPAC2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCNCC1c1ccccc1OC
InChIInChI=1S/C15H22N4O3/c1-16-15(21)18-14(20)10-19-8-7-17-9-12(19)11-5-3-4-6-13(11)22-2/h3-6,12,17H,7-10H2,1-2H3,(H2,16,18,20,21)
InChIKeyCOJJARMTBXWKMH-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.10
Rot. Bonds4

About 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide

2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 120753930) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID120753930
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCNCC1c1ccccc1OC
InChIInChI=1S/C15H22N4O3/c1-16-15(21)18-14(20)10-19-8-7-17-9-12(19)11-5-3-4-6-13(11)22-2/h3-6,12,17H,7-10H2,1-2H3,(H2,16,18,20,21)
InChIKeyCOJJARMTBXWKMH-UHFFFAOYSA-N
XLogP0.10
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753652
N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753392
2-[[2-[2-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 120754020
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide;hydrochloride
CID 120753909
N-benzyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753744
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753359
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 120753860
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754009

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide (CID 120753930) is 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CCNCC1c1ccccc1OC.
What is the InChIKey of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is COJJARMTBXWKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-16-15(21)18-14(20)10-19-8-7-17-9-12(19)11-5-3-4-6-13(11)22-2/h3-6,12,17H,7-10H2,1-2H3,(H2,16,18,20,21).
What are the key properties of 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 120753930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).