N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide

C16H22ClN3O3 — CID 108944601

IUPACN-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide
SMILESCCN1CCN(C(=O)CC(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H22ClN3O3/c1-3-19-6-8-20(9-7-19)16(22)11-15(21)18-13-10-12(17)4-5-14(13)23-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,21)
InChIKeyJCVJPKAIDOFNCF-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.84
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide

N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide (PubChem CID 108944601) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide
PubChem CID108944601
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide
SMILESCCN1CCN(C(=O)CC(=O)Nc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C16H22ClN3O3/c1-3-19-6-8-20(9-7-19)16(22)11-15(21)18-13-10-12(17)4-5-14(13)23-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,21)
InChIKeyJCVJPKAIDOFNCF-UHFFFAOYSA-N
XLogP1.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944777
4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37192606
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
N-(5-chloro-2-methoxyphenyl)-3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 37405485
ethyl 4-[3-(2,5-dimethoxyanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950355
N-(2,5-dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944436
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 8794053
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-(4-acetylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2101557
3-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944606
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide (CID 108944601) is N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide is CCN1CCN(C(=O)CC(=O)Nc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide?
The InChIKey is JCVJPKAIDOFNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-3-19-6-8-20(9-7-19)16(22)11-15(21)18-13-10-12(17)4-5-14(13)23-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,18,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide?
N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide has a molecular weight of 339.82 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)-3-oxopropanamide is sourced from PubChem (CID 108944601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).