N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

C13H24N2O2 — CID 108523010

IUPACN-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCCCCN(C)C(=O)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O2/c1-4-5-8-14(3)12(16)13(17)15-9-6-7-11(2)10-15/h11H,4-10H2,1-3H3
InChIKeyRBILUHOTGSWILQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.50
Rot. Bonds3

About N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide

N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108523010) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108523010
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCCCCN(C)C(=O)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H24N2O2/c1-4-5-8-14(3)12(16)13(17)15-9-6-7-11(2)10-15/h11H,4-10H2,1-3H3
InChIKeyRBILUHOTGSWILQ-UHFFFAOYSA-N
XLogP1.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140123
2-[butyl(methyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006116
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide
CID 99785323
N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
CID 79162694
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337
N-(3-aminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79159316
2-[4-(2-aminoethyl)piperazin-1-yl]-N-butyl-N-methyl-2-oxoacetamide
CID 108517896
N-[2-(dimethylamino)ethyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523021
3-methylpiperidine-1-carboxylic acid
CID 22047728
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
N,3-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 79163646
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-carboxamide
CID 79159584

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide (CID 108523010) is N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is CCCCN(C)C(=O)C(=O)N1CCCC(C)C1.
What is the InChIKey of N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is RBILUHOTGSWILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-8-14(3)12(16)13(17)15-9-6-7-11(2)10-15/h11H,4-10H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide?
N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 240.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(3-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108523010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).