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

C17H25N3O3 — CID 16886512

IUPACN'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-20-9-7-14(8-10-20)12-19-17(22)16(21)18-11-13-3-5-15(23-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKUZPPYJSRMLAJI-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.77
Rot. Bonds5

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

N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886512) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
PubChem CID16886512
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCC2CCN(C)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-20-9-7-14(8-10-20)12-19-17(22)16(21)18-11-13-3-5-15(23-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKUZPPYJSRMLAJI-UHFFFAOYSA-N
XLogP0.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.77
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'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
N-[[1-(3-cyanopyrazin-2-yl)piperidin-4-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 121110119
N-[(4-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838996
1-[(4-methoxyphenyl)methyl]-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 121108845
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 111183724
N-[(1-methylpiperidin-4-yl)methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16886515
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222672
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886576
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 16886745

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide (CID 16886512) is N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NCC2CCN(C)CC2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
The InChIKey is KUZPPYJSRMLAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20-9-7-14(8-10-20)12-19-17(22)16(21)18-11-13-3-5-15(23-2)6-4-13/h3-6,14H,7-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide?
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide has a molecular weight of 319.40 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).