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

C14H19N3O3 — CID 107071684

IUPAC3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N(C)c2cccnc2)C1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-10-5-4-8-17(12(10)13(18)19)14(20)16(2)11-6-3-7-15-9-11/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,18,19)
InChIKeyOCCKZAANXZSFHG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.82
Rot. Bonds2

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

3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 107071684) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID107071684
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)N(C)c2cccnc2)C1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-10-5-4-8-17(12(10)13(18)19)14(20)16(2)11-6-3-7-15-9-11/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,18,19)
InChIKeyOCCKZAANXZSFHG-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(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425608
1-[(3-fluorophenyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782431
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495
3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072416
3-methyl-1-(2-pyridin-3-ylethyl)piperidine-2-carboxylic acid
CID 107072568
1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741
1-[bis(cyclopropylmethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071692
3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071187
3-methyl-1-(pyrimidin-2-ylcarbamoyl)piperidine-2-carboxylic acid
CID 107071231
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-[(2-cyanophenyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782910

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid (CID 107071684) is 3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid is CC1CCCN(C(=O)N(C)c2cccnc2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is OCCKZAANXZSFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-5-4-8-17(12(10)13(18)19)14(20)16(2)11-6-3-7-15-9-11/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid?
3-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 3-methyl-1-[methyl(pyridin-3-yl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107071684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).