2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide

C17H26N4O3 — CID 120640503

IUPAC2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C17H26N4O3/c1-13-3-4-14(18)11-15(13)17(23)21-8-6-20(7-9-21)12-16(22)19-5-10-24-2/h3-4,11H,5-10,12,18H2,1-2H3,(H,19,22)
InChIKeyRNQIEHSNGFHPSA-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.10
Rot. Bonds6

About 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 120640503) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID120640503
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)c2cc(N)ccc2C)CC1
InChIInChI=1S/C17H26N4O3/c1-13-3-4-14(18)11-15(13)17(23)21-8-6-20(7-9-21)12-16(22)19-5-10-24-2/h3-4,11H,5-10,12,18H2,1-2H3,(H,19,22)
InChIKeyRNQIEHSNGFHPSA-UHFFFAOYSA-N
XLogP0.10
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 28507598
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120640613
N-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide
CID 78889005
2-[4-(2,6-dimethylquinoline-3-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55466264
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 8541477
(5-amino-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210135
2-[4-(5-amino-2-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 61114166
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)-4-methylbenzenesulfonamide
CID 55979736

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 120640503) is 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(C(=O)c2cc(N)ccc2C)CC1.
What is the InChIKey of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is RNQIEHSNGFHPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13-3-4-14(18)11-15(13)17(23)21-8-6-20(7-9-21)12-16(22)19-5-10-24-2/h3-4,11H,5-10,12,18H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 120640503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).