4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid

C14H19N3O3 — CID 114425608

IUPAC4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)c2cccnc2)C(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-10-5-7-17(12(8-10)13(18)19)14(20)16(2)11-4-3-6-15-9-11/h3-4,6,9-10,12H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyXXWSGPRRIPQFQR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.82
Rot. Bonds2

About 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid

4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114425608) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID114425608
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)c2cccnc2)C(C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-10-5-7-17(12(8-10)13(18)19)14(20)16(2)11-4-3-6-15-9-11/h3-4,6,9-10,12H,5,7-8H2,1-2H3,(H,18,19)
InChIKeyXXWSGPRRIPQFQR-UHFFFAOYSA-N
XLogP1.82
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 114425505
3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 107071684
4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 114421990
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
1-(2,3-dihydro-1H-indene-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 106892485
1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425523
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741
1-[2-(dimethylamino)pyridine-4-carbonyl]-4-methylpiperidine-2-carboxylic acid
CID 114421473
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425451
4-ethyl-2-[methyl(pyridin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511846
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
1-[(3-methoxyphenyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62001735

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid (CID 114425608) is 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid is CC1CCN(C(=O)N(C)c2cccnc2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is XXWSGPRRIPQFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-5-7-17(12(8-10)13(18)19)14(20)16(2)11-4-3-6-15-9-11/h3-4,6,9-10,12H,5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114425608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).