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

C13H17N3O3 — CID 122088415

IUPAC1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CCCC(C(=O)O)C2)ccn1
InChIInChI=1S/C13H17N3O3/c1-9-7-11(4-5-14-9)15-13(19)16-6-2-3-10(8-16)12(17)18/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyUIGBJFSSVAYJNS-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.72
Rot. Bonds2

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

1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122088415) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID122088415
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CCCC(C(=O)O)C2)ccn1
InChIInChI=1S/C13H17N3O3/c1-9-7-11(4-5-14-9)15-13(19)16-6-2-3-10(8-16)12(17)18/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18)(H,14,15,19)
InChIKeyUIGBJFSSVAYJNS-UHFFFAOYSA-N
XLogP1.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(4-bromo-3-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82861069
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090086
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
1-(1,3-benzothiazol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122078635
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 139014191

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid (CID 122088415) is 1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid is Cc1cc(NC(=O)N2CCCC(C(=O)O)C2)ccn1.
What is the InChIKey of 1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is UIGBJFSSVAYJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-7-11(4-5-14-9)15-13(19)16-6-2-3-10(8-16)12(17)18/h4-5,7,10H,2-3,6,8H2,1H3,(H,17,18)(H,14,15,19).
What are the key properties of 1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122088415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).