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

C15H21N3O3 — CID 107586080

IUPAC3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid
SMILESCc1cncc(NC(=O)N2CCCC(CCC(=O)O)C2)c1
InChIInChI=1S/C15H21N3O3/c1-11-7-13(9-16-8-11)17-15(21)18-6-2-3-12(10-18)4-5-14(19)20/h7-9,12H,2-6,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyOAUVYWMOVQKOAM-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.50
Rot. Bonds4

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

3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid (PubChem CID 107586080) 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-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid
PubChem CID107586080
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid
SMILESCc1cncc(NC(=O)N2CCCC(CCC(=O)O)C2)c1
InChIInChI=1S/C15H21N3O3/c1-11-7-13(9-16-8-11)17-15(21)18-6-2-3-12(10-18)4-5-14(19)20/h7-9,12H,2-6,10H2,1H3,(H,17,21)(H,19,20)
InChIKeyOAUVYWMOVQKOAM-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 107585962
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 107586068
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
3-[1-(1,2,4-triazin-3-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 114388651
3-[1-[5-(3-methylphenyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536454
3-[1-[3-(3,5-dimethylphenyl)propanoyl]piperidin-3-yl]propanoic acid
CID 120536676
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
2-cyclobutyl-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 71860746
3-[1-(cyclobutylcarbamoyl)piperidin-3-yl]propanoic acid
CID 62414233
(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95093939

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid (CID 107586080) is 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid is Cc1cncc(NC(=O)N2CCCC(CCC(=O)O)C2)c1.
What is the InChIKey of 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid?
The InChIKey is OAUVYWMOVQKOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-7-13(9-16-8-11)17-15(21)18-6-2-3-12(10-18)4-5-14(19)20/h7-9,12H,2-6,10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid?
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.50, 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-3-yl]propanoic acid is sourced from PubChem (CID 107586080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).