3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid

C15H21N3O3 — CID 107585962

IUPAC3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCc1cncc(NC(=O)N2CCCCC2CCC(=O)O)c1
InChIInChI=1S/C15H21N3O3/c1-11-8-12(10-16-9-11)17-15(21)18-7-3-2-4-13(18)5-6-14(19)20/h8-10,13H,2-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyMYVCAKJVWBHCIE-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.64
Rot. Bonds4

About 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 107585962) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
PubChem CID107585962
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCc1cncc(NC(=O)N2CCCCC2CCC(=O)O)c1
InChIInChI=1S/C15H21N3O3/c1-11-8-12(10-16-9-11)17-15(21)18-7-3-2-4-13(18)5-6-14(19)20/h8-10,13H,2-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyMYVCAKJVWBHCIE-UHFFFAOYSA-N
XLogP2.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 107586080
3-[1-[(1-ethylpyrazol-4-yl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217947
5-[(2-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157572
3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217205
5-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 63157945
3-[1-[(3-chlorophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62216964
2-cyclobutyl-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 71860746
2-[4-[(5-methyl-3-pyridinyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 107586090
3-[1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 62210474
2-(2-methylpiperidin-1-yl)-N-(5-methyl-3-pyridinyl)-2-oxoacetamide
CID 177382926
3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 107586068

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid (CID 107585962) is 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid is Cc1cncc(NC(=O)N2CCCCC2CCC(=O)O)c1.
What is the InChIKey of 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is MYVCAKJVWBHCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-8-12(10-16-9-11)17-15(21)18-7-3-2-4-13(18)5-6-14(19)20/h8-10,13H,2-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 107585962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).