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

C17H24N4O3 — CID 16886569

IUPACN'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C)CC2)c1
InChIInChI=1S/C17H24N4O3/c1-12(22)19-14-4-3-5-15(10-14)20-17(24)16(23)18-11-13-6-8-21(2)9-7-13/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyAZSHIFRTUHWTRV-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.04
Rot. Bonds4

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

N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886569) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
PubChem CID16886569
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C)CC2)c1
InChIInChI=1S/C17H24N4O3/c1-12(22)19-14-4-3-5-15(10-14)20-17(24)16(23)18-11-13-6-8-21(2)9-7-13/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyAZSHIFRTUHWTRV-UHFFFAOYSA-N
XLogP1.04
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-N'-(3-nitrophenyl)oxamide
CID 16886565
N'-(3-chloro-4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886530
N'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583
N'-(3-acetamidophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108526491
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 16886734
1-(3-cyanophenyl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 51106201
N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886956
N-[3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]phenyl]acetamide
CID 108884073
N'-(5-chloro-2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886563
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-N'-phenyloxamide
CID 121020500

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide (CID 16886569) is N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(C)CC2)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The InChIKey is AZSHIFRTUHWTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(22)19-14-4-3-5-15(10-14)20-17(24)16(23)18-11-13-6-8-21(2)9-7-13/h3-5,10,13H,6-9,11H2,1-2H3,(H,18,23)(H,19,22)(H,20,24).
What are the key properties of N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide has a molecular weight of 332.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-[(1-methylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).