N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide

C16H22ClN3O3 — CID 16886530

IUPACN'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-20-7-5-11(6-8-20)10-18-15(21)16(22)19-12-3-4-14(23-2)13(17)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPFKWAPWBQYAKBM-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.75
Rot. Bonds4

About N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide

N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886530) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
PubChem CID16886530
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C16H22ClN3O3/c1-20-7-5-11(6-8-20)10-18-15(21)16(22)19-12-3-4-14(23-2)13(17)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyPFKWAPWBQYAKBM-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-methoxyphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887210
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide
CID 95350092
N-(3-chloro-4-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111442952
N'-(3-chloro-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 44902400
N'-(3-chloro-4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268515
N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886563
N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371221
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108501193
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide (CID 16886530) is N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide is COc1ccc(NC(=O)C(=O)NCC2CCN(C)CC2)cc1Cl.
What is the InChIKey of N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The InChIKey is PFKWAPWBQYAKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-20-7-5-11(6-8-20)10-18-15(21)16(22)19-12-3-4-14(23-2)13(17)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide has a molecular weight of 339.82 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).