6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

C18H25N3O4 — CID 119181833

IUPAC6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C18H25N3O4/c1-3-4-10-20(2)16(22)13-8-11-21(12-9-13)17(23)14-6-5-7-15(19-14)18(24)25/h5-7,13H,3-4,8-12H2,1-2H3,(H,24,25)
InChIKeyDOLBNMAQSHWFTF-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.89
Rot. Bonds6

About 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119181833) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119181833
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C18H25N3O4/c1-3-4-10-20(2)16(22)13-8-11-21(12-9-13)17(23)14-6-5-7-15(19-14)18(24)25/h5-7,13H,3-4,8-12H2,1-2H3,(H,24,25)
InChIKeyDOLBNMAQSHWFTF-UHFFFAOYSA-N
XLogP1.89
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 60526195
N-butyl-1-(1,3-dimethyl-2-oxoimidazole-4-carbonyl)-N-methylpiperidine-4-carboxamide
CID 146109340
N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
N-butyl-1-(6-chloroquinoline-8-carbonyl)-N-methylpiperidine-4-carboxamide
CID 55950411
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
CID 119173154
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
1-(2-amino-3-phenylpropanoyl)-N-butyl-N-methylpiperidine-4-carboxamide
CID 119297550
N-butyl-N-methyl-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 20892793
N-butyl-1-[2-(2-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005684
N-butyl-1-[2-(3-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005685
N-butyl-N-methyl-1-[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]piperidine-4-carboxamide
CID 55980139
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285

Frequently Asked Questions

What is the IUPAC name of 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119181833) is 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is CCCCN(C)C(=O)C1CCN(C(=O)c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is DOLBNMAQSHWFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-3-4-10-20(2)16(22)13-8-11-21(12-9-13)17(23)14-6-5-7-15(19-14)18(24)25/h5-7,13H,3-4,8-12H2,1-2H3,(H,24,25).
What are the key properties of 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119181833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).