N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

C13H25N3O2 — CID 108505387

IUPACN-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCCC(C)NC(=O)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H25N3O2/c1-5-10(2)14-12(17)13(18)16(4)11-6-8-15(3)9-7-11/h10-11H,5-9H2,1-4H3,(H,14,17)
InChIKeySJXAIVAJGOKADZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.45
Rot. Bonds3

About N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide

N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (PubChem CID 108505387) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
PubChem CID108505387
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
SMILESCCC(C)NC(=O)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C13H25N3O2/c1-5-10(2)14-12(17)13(18)16(4)11-6-8-15(3)9-7-11/h10-11H,5-9H2,1-4H3,(H,14,17)
InChIKeySJXAIVAJGOKADZ-UHFFFAOYSA-N
XLogP0.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.45
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

(Z)-N-butan-2-yl-2-cyano-3-[methyl-(1-methylpiperidin-4-yl)amino]prop-2-enamide
CID 108834351
N-cycloheptyl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507306
N-(4-ethylphenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507216
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 54873932
3-methyl-2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 61189781
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)oxamide
CID 108505781
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
2-methylbutane;N,N,1-trimethylpiperidin-4-amine
CID 142525400
N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide
CID 108507327
2-chloro-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 16789802
2-(azepan-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507207
2,3-dimethyl-4-[methyl-(1-methylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103495844

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The IUPAC name of N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide (CID 108505387) is N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide.
What is the SMILES notation for N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The canonical SMILES for N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is CCC(C)NC(=O)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
The InChIKey is SJXAIVAJGOKADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-10(2)14-12(17)13(18)16(4)11-6-8-15(3)9-7-11/h10-11H,5-9H2,1-4H3,(H,14,17).
What are the key properties of N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide?
N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide has a molecular weight of 255.36 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-methyl-N'-(1-methylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108505387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).