N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

C16H22ClN3O2 — CID 108506051

IUPACN-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCN1CCC(N(C)C(=O)C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-19-9-7-13(8-10-19)20(2)16(22)15(21)18-11-12-5-3-4-6-14(12)17/h3-6,13H,7-11H2,1-2H3,(H,18,21)
InChIKeySHOVMZBFYREEPI-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.51
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (PubChem CID 108506051) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
PubChem CID108506051
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCN1CCC(N(C)C(=O)C(=O)NCc2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O2/c1-19-9-7-13(8-10-19)20(2)16(22)15(21)18-11-12-5-3-4-6-14(12)17/h3-6,13H,7-11H2,1-2H3,(H,18,21)
InChIKeySHOVMZBFYREEPI-UHFFFAOYSA-N
XLogP1.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
CID 108505781
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
N-[(2-chlorophenyl)methyl]-1-methylpiperidine-2-carboxamide
CID 110851383
3-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 45192669
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463788
N-methyl-2-[2-(methylamino)ethyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 104547292
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507170
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
2-(2-chlorophenyl)-N-cyclopentyl-N-methylacetamide
CID 166712612

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (CID 108506051) is N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is CN1CCC(N(C)C(=O)C(=O)NCc2ccccc2Cl)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The InChIKey is SHOVMZBFYREEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-19-9-7-13(8-10-19)20(2)16(22)15(21)18-11-12-5-3-4-6-14(12)17/h3-6,13H,7-11H2,1-2H3,(H,18,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide has a molecular weight of 323.82 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108506051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).