N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide

C17H28N4O3 — CID 146109340

IUPACN-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1
InChIInChI=1S/C17H28N4O3/c1-5-6-9-18(2)15(22)13-7-10-21(11-8-13)16(23)14-12-19(3)17(24)20(14)4/h12-13H,5-11H2,1-4H3
InChIKeyFATIYALLXSCLEZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.83
Rot. Bonds5

About N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide

N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide (PubChem CID 146109340) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide
PubChem CID146109340
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1
InChIInChI=1S/C17H28N4O3/c1-5-6-9-18(2)15(22)13-7-10-21(11-8-13)16(23)14-12-19(3)17(24)20(14)4/h12-13H,5-11H2,1-4H3
InChIKeyFATIYALLXSCLEZ-UHFFFAOYSA-N
XLogP0.83
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-butyl-N-methyl-1-(8-oxobicyclo[3.2.1]octane-3-carbonyl)piperidine-4-carboxamide
CID 102560286
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666
N-butyl-N-methyl-1-[2-(4-oxocinnolin-1-yl)acetyl]piperidine-4-carboxamide
CID 55949640
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 55836283
4-[3-[4-[butyl(methyl)carbamoyl]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119181832
N-butyl-N-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119738389
N-butyl-N-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 60526195

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide (CID 146109340) is N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)c2cn(C)c(=O)n2C)CC1.
What is the InChIKey of N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is FATIYALLXSCLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-6-9-18(2)15(22)13-7-10-21(11-8-13)16(23)14-12-19(3)17(24)20(14)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide?
N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 146109340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).