N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C16H22ClN3O3 — CID 108513767

IUPACN-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)NCCCCl)CC1
InChIInChI=1S/C16H22ClN3O3/c1-23-14-6-3-2-5-13(14)19-9-11-20(12-10-19)16(22)15(21)18-8-4-7-17/h2-3,5-6H,4,7-12H2,1H3,(H,18,21)
InChIKeyGTOAYRCCSZMXAC-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.09
Rot. Bonds5

About N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108513767) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108513767
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)NCCCCl)CC1
InChIInChI=1S/C16H22ClN3O3/c1-23-14-6-3-2-5-13(14)19-9-11-20(12-10-19)16(22)15(21)18-8-4-7-17/h2-3,5-6H,4,7-12H2,1H3,(H,18,21)
InChIKeyGTOAYRCCSZMXAC-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530710
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)-2-oxoacetamide
CID 108517573
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506291
N-butyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 6468080
4-(2-methoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 41353621
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530712
N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108525435
ethyl 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carboxylate
CID 108530741
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
N-[4-(diethylamino)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530576

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108513767) is N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)NCCCCl)CC1.
What is the InChIKey of N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is GTOAYRCCSZMXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-23-14-6-3-2-5-13(14)19-9-11-20(12-10-19)16(22)15(21)18-8-4-7-17/h2-3,5-6H,4,7-12H2,1H3,(H,18,21).
What are the key properties of N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 339.82 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108513767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).