N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide

C16H22ClN3O2 — CID 16886563

IUPACN'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11-3-4-13(17)9-14(11)19-16(22)15(21)18-10-12-5-7-20(2)8-6-12/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNEZLTOYXXHQLIV-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.04
Rot. Bonds3

About N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide

N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886563) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
PubChem CID16886563
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C16H22ClN3O2/c1-11-3-4-13(17)9-14(11)19-16(22)15(21)18-10-12-5-7-20(2)8-6-12/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNEZLTOYXXHQLIV-UHFFFAOYSA-N
XLogP2.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-[[1-[3-(5-chloro-2-methylanilino)-3-oxopropanoyl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 131911751
N-(5-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoacetamide
CID 111798621
N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269096
N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886530
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886569
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
1-(5-chloro-2-methylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 23607953
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(5-chloro-2-methylphenyl)-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 30577049
N'-(5-chloro-2-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887407
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide (CID 16886563) is N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(C)CC1.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The InChIKey is NEZLTOYXXHQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11-3-4-13(17)9-14(11)19-16(22)15(21)18-10-12-5-7-20(2)8-6-12/h3-4,9,12H,5-8,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide has a molecular weight of 323.82 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).